113 Chemical Compounds and Their Applications
Compounds with molecular weights near 113 g/mol include important industrial chemicals and pharmaceutical precursors. Notable examples include indole (C₈H₇N, 117.15 g/mol) used in perfumery and pharmaceuticals, butyl acetate (C₆H₁₂O₂, 116.16 g/mol) common in solvents and fragrances, and 1-nonene (C₉H₁₈, 112.24 g/mol) used in polymer production. These mid-weight organic compounds play crucial roles in industrial processes, medicinal chemistry, and consumer products.
Understanding Compounds with Molecular Weights Around 113
The world of chemistry is organized by many properties, but molecular weight provides a particularly useful classification system. Compounds with molecular weights around 113 g/mol occupy an interesting middle ground in organic chemistry—heavier than simple molecules like methane or ethanol, yet lighter than complex biomolecules or polymers.
This molecular weight range encompasses a diverse array of compounds with remarkable versatility. From essential industrial solvents to pharmaceutical building blocks, flavor compounds to agricultural chemicals, these molecules form a critical part of modern chemistry's toolbox.
What makes 113 g/mol compounds particularly significant is their balance of properties. They typically have:
- Sufficient volatility for many industrial applications
- Complex enough structure to exhibit specific biological activities
- Relatively straightforward synthesis compared to larger molecules
- Diverse functional group capabilities
- Wide ranging solubility profiles depending on structure
Molecular Weight vs. Molar Mass
While often used interchangeably, molecular weight and molar mass have subtle differences. Molecular weight is dimensionless and represents the ratio of the average mass of a molecule to 1/12 the mass of carbon-12. Molar mass is expressed in g/mol and represents the mass of one mole of a substance. For practical purposes in this discussion, we'll use molecular weight expressed in g/mol units.
Key Chemical Compounds with Molecular Weights Around 113
This molecular weight range includes numerous industrially and biologically important compounds. Let's examine some of the most significant examples and their applications.
Molecular Weight Conversion
Convert between molecular weight and number of molecules:
Aromatic Compounds (~113 g/mol)
Aromatic structures with molecular weights near 113 g/mol include several industrially important compounds:
Indole (C₈H₇N, 117.15 g/mol)
/\ | \ | \ | \ | N | /H | / \ /
Properties: White crystalline solid with intense fecal odor at high concentrations but floral scent when diluted.
Applications: Precursor for tryptophan synthesis, key component in perfumery, present in coal tar and jasmine oil.
Trimethylbenzene (C₉H₁₂, 120.19 g/mol)
CH₃ | | CH₃-C-----C-CH₃ || || || || C-----C | | | | C=====C
Properties: Colorless liquid, insoluble in water but soluble in organic solvents.
Applications: Gasoline component, solvent in coatings industry, precursor for trimellitic anhydride in plastics manufacturing.
Aliphatic Compounds (~113 g/mol)
Non-aromatic compounds in this molecular weight range include:
Butyl Acetate (C₆H₁₂O₂, 116.16 g/mol)
O ‖ CH₃-C-O-CH₂-CH₂-CH₂-CH₃
Properties: Colorless liquid with fruity odor, moderately soluble in water.
Applications: Solvent in lacquers, paints, and synthetic fruit flavors (particularly apple and banana).
1-Nonene (C₉H₁₈, 112.24 g/mol)
CH₂=CH-CH₂-CH₂-CH₂-CH₂-CH₂-CH₂-CH₃
Properties: Colorless liquid, insoluble in water.
Applications: Monomer in polymer production, intermediate in organic synthesis, component in specialty lubricants.
Halogenated Compounds (~113 g/mol)
Compounds containing halogens (F, Cl, Br, I) in this weight range include:
Compound | Formula | Molecular Weight | Key Applications |
---|---|---|---|
1,1,1-Trichloroethane | C₂H₃Cl₃ | 133.40 g/mol | Industrial cleaning, adhesives (being phased out due to ozone depletion) |
Chlorobenzene | C₆H₅Cl | 112.56 g/mol | Solvent, intermediate for pesticides, dyestuffs, and pharmaceuticals |
1-Bromopropane | C₃H₇Br | 122.99 g/mol | Cleaning agent in electronics, replacement for some ozone-depleting solvents |
2-Chlorotoluene | C₇H₇Cl | 126.58 g/mol | Intermediate for dyes, pharmaceuticals, and agricultural chemicals |
Applications of 113 g/mol Compounds Across Industries
Compounds with molecular weights around 113 g/mol find applications across numerous industries due to their versatile properties and relatively straightforward synthesis.
Pharmaceutical Applications
In pharmaceutical development, these compounds serve critical roles:
- Building Blocks: They function as essential intermediates in the synthesis of more complex active pharmaceutical ingredients (APIs)
- Functional Groups: Their molecular weight allows incorporation of key pharmacophores while maintaining drug-like properties
- Solubility Modifiers: They can be used to adjust the solubility profiles of drug formulations
- Bioavailability Enhancers: Some compounds in this range improve the absorption of other therapeutic agents
Case Study: Indole in Pharmaceutical Development
Indole (117.15 g/mol) serves as a fundamental building block in numerous pharmaceuticals:
- Precursor to tryptophan and serotonin-based drugs for depression and anxiety
- Core structure in antimigraine medications (triptans)
- Component in certain non-steroidal anti-inflammatory drugs
- Present in beta-blocker structures for cardiovascular conditions
Its nitrogen-containing aromatic structure provides key binding opportunities with biological receptors.
Industrial and Manufacturing Applications
The industrial sector heavily utilizes compounds in the 113 g/mol range:
Solvents and Processing Aids
- Butyl acetate in paints and coatings
- Chlorobenzene for degreasing and cleaning
- Trimethylbenzene in specialty chemical production
- Cyclohexanone in polymer processing
Material Components
- 1-Nonene in polymer chain termination
- Chlorinated compounds in flame retardants
- Acetophenone derivatives in photoinitiation
- Specific isomers as polymer plasticizers
Agricultural and Food Industry Applications
Several compounds with molecular weights around 113 g/mol play important roles in agriculture and food production:
- Pest Management: Components in insecticides, fungicides, and herbicides
- Growth Regulation: Synthetic plant hormones and growth regulators
- Food Additives: Flavor compounds and food preservation agents
- Processing Aids: Extraction solvents for natural products
Safety Considerations
While compounds in the 113 g/mol range have valuable applications, many pose significant health and environmental hazards. Halogenated compounds like 1,1,1-trichloroethane have been subject to international phase-outs due to ozone depletion. Others, like chlorobenzene, require careful handling due to toxicity concerns. Always consult safety data sheets and follow applicable regulations when working with these chemicals.
Consumer Products Containing ~113 g/mol Compounds
Many everyday products contain compounds in this weight range:
Product Category | Compound Example | Function |
---|---|---|
Fragrances and Perfumes | Indole, Acetophenone | Aroma components creating floral or sweet notes |
Nail Polish and Removers | Butyl Acetate | Solvent that evaporates at appropriate rate |
Cleaning Products | Various glycol ethers | Surfactants and grease-cutting agents |
Food Flavorings | Esters like ethyl octanoate | Fruit flavor components (apple, pear, etc.) |
Plastics and Packaging | Plasticizer compounds | Flexibility modifiers in polymers |
Chemical Properties and Behavior of 113 g/mol Compounds
Compounds with molecular weights around 113 g/mol exhibit interesting physical and chemical properties that make them valuable in various applications.
Physical Properties
The physical state of these compounds at room temperature depends primarily on their molecular structure:
- Liquids: Most aliphatic compounds like 1-nonene, butyl acetate, and many simple halogenated compounds
- Solids: Typically aromatic compounds with strong intermolecular forces like indole
- Gases: Rare in this weight range, though some halogenated compounds approach gaseous state
Volatility varies considerably but generally follows these patterns:
Volatility Trends Among 113 g/mol Compounds
Chemical Reactivity
The reactivity of compounds in this weight range depends primarily on their functional groups:
Highly Reactive Functional Groups
- Aldehydes (addition reactions)
- Primary amines (nucleophilic)
- Alkenes (addition, polymerization)
- Acid chlorides (hydrolysis, substitution)
Moderately Reactive Functional Groups
- Ketones (selective addition)
- Esters (hydrolysis, transesterification)
- Secondary alcohols (oxidation)
- Aromatic rings (selective substitution)
Synthesis Methods
Compounds with molecular weights around 113 g/mol can be synthesized through various methods:
- Condensation Reactions: Combining smaller molecules with elimination of small molecules like water
- Substitution Reactions: Replacing functional groups to achieve desired properties
- Addition Reactions: Adding molecules across double or triple bonds
- Rearrangement Reactions: Reorganizing atoms within a molecule to form isomers
- Reduction/Oxidation: Changing oxidation states of carbon atoms
Green Chemistry Considerations
Modern synthesis of compounds in the 113 g/mol range increasingly incorporates green chemistry principles. These include catalytic rather than stoichiometric reagents, atom economy focus, safer solvents, energy efficiency, and renewable feedstocks. The development of bio-based routes to traditionally petroleum-derived compounds in this weight range represents a significant area of current research and industrial innovation.
Environmental Impact of 113 g/mol Compounds
The environmental behavior and impact of compounds with molecular weights around 113 g/mol vary considerably based on their specific chemical structures.
Environmental Persistence
These compounds show varying degrees of persistence in the environment:
Persistence Level | Examples | Degradation Timeline |
---|---|---|
Highly Persistent | Halogenated aromatics, chlorinated solvents | Decades to centuries |
Moderately Persistent | Some ketones, complex esters | Months to years |
Low Persistence | Simple alcohols, most alkenes | Days to weeks |
Biodegradable | Natural esters, some alcohols | Hours to days |
Transport and Distribution in Ecosystems
When released into the environment, these compounds distribute themselves across environmental compartments based on their physical-chemical properties:
Atmosphere
Volatile compounds like simple esters, ketones, and some halogenated compounds
Water
Polar compounds, alcohols, and water-soluble materials
Soil/Sediment
Hydrophobic compounds, aromatics, and materials with high organic carbon partition coefficients
Biota
Lipophilic compounds capable of bioaccumulation
Ecological and Health Impacts
The toxicity profiles of 113 g/mol compounds vary widely:
- Aquatic Toxicity: Many compounds in this weight range can affect aquatic organisms at relatively low concentrations
- Bioaccumulation: Some hydrophobic compounds may concentrate in fatty tissues
- Air Quality Impact: Volatile organic compounds contribute to photochemical smog formation
- Human Health Concerns: Range from mild irritation to carcinogenic potential depending on specific compound
Regulatory Frameworks
Many compounds in the 113 g/mol range are regulated under frameworks like REACH in Europe, TSCA in the United States, and various international conventions. Regulation typically focuses on production volumes, specific hazard profiles, and use patterns. Companies working with these compounds should maintain awareness of changing regulatory requirements, particularly for substances with persistent, bioaccumulative, or toxic properties.
Analytical Identification of 113 g/mol Compounds
Identifying and characterizing compounds with molecular weights around 113 g/mol requires sophisticated analytical techniques. These methods are essential for quality control, environmental monitoring, and research applications.
Mass Spectrometry
Mass spectrometry (MS) is particularly valuable for compounds in this weight range:
- GC-MS: Gas chromatography coupled with mass spectrometry is ideal for volatile compounds like esters and ketones
- LC-MS: Liquid chromatography mass spectrometry works well for less volatile or thermally unstable compounds
- High-Resolution MS: Allows precise determination of molecular formula through exact mass measurement
- Fragmentation Patterns: Compounds in this weight range typically show distinctive fragmentation that aids identification
Example: Mass Spectrum of Butyl Acetate (116.16 g/mol)
Key fragments include:
- m/z 116: Molecular ion [M]+
- m/z 73: [CH₃COOCH₂]+ fragment from loss of propyl group
- m/z 56: [CH₃COOH]+ fragment
- m/z 43: [CH₃CO]+ acyl fragment (base peak)
Spectroscopic Methods
Several spectroscopic techniques provide valuable structural information:
Nuclear Magnetic Resonance (NMR)
- ¹H-NMR reveals hydrogen environments
- ¹³C-NMR shows carbon skeleton structure
- 2D techniques map atom connectivity
- Particularly useful for isomer differentiation
Infrared Spectroscopy (IR)
- Identifies functional groups
- Distinguishes between isomeric structures
- Fast analysis with minimal sample preparation
- Works well for both solid and liquid samples
Chromatographic Separation
Separating and identifying compounds in this weight range often requires chromatographic techniques:
- Gas Chromatography (GC): Excellent for volatile compounds like solvents and simple esters
- High-Performance Liquid Chromatography (HPLC): Ideal for less volatile or thermally unstable compounds
- Thin-Layer Chromatography (TLC): Useful for rapid screening and monitoring reactions
- Supercritical Fluid Chromatography (SFC): Combines aspects of GC and HPLC for difficult separations
Current Research and Future Applications
Research involving compounds with molecular weights around 113 g/mol continues to evolve, with several emerging areas of interest.
Green Chemistry Alternatives
Researchers are developing environmentally friendly alternatives to traditional compounds in this weight range:
- Bio-based Solvents: Developing plant-derived alternatives to petroleum-based solvents
- Reduced Toxicity: Designing molecules with similar functions but lower environmental impact
- Improved Biodegradability: Modifying structures to enhance environmental breakdown
- Renewable Feedstocks: Shifting production from petroleum to biological sources
Pharmaceutical Research
Compounds in this weight range continue to play important roles in drug discovery:
Fragment-Based Drug Design
Small molecules around 113 g/mol serve as building blocks in fragment-based drug design approaches. These "fragments" bind weakly but efficiently to protein targets and can be elaborated into more potent drug candidates with optimized properties. The relatively simple structure of these fragments makes them ideal starting points for medicinal chemistry optimization.
Advanced Materials
Materials science increasingly utilizes compounds in this weight range:
- Polymerization Initiators: Compounds that trigger precise polymer formation
- Surface Modifiers: Molecules that alter material interfaces for specific properties
- Nanoparticle Functionalization: Attaching functional groups to nanoparticles for targeted applications
- Stimuli-Responsive Materials: Compounds that change properties in response to environmental triggers
Computational Prediction
Modern computational methods are revolutionizing how we understand and design compounds in the 113 g/mol range. Quantum chemical calculations can predict properties like solubility, reactivity, and environmental fate with increasing accuracy. Machine learning approaches are accelerating the discovery of new compounds with tailored properties by analyzing patterns in existing chemical data. These computational methods reduce the need for extensive experimental testing and accelerate the development of new applications.
Frequently Asked Questions
Why are compounds with molecular weights around 113 g/mol particularly useful in industry?
Compounds with molecular weights around 113 g/mol occupy a "sweet spot" in terms of practical utility. They're heavy enough to have relatively low volatility compared to smaller molecules, making them easier to handle in manufacturing processes. Yet they're light enough to interact efficiently in chemical reactions and often have good solubility properties. This molecular weight range typically allows for a balance of functional groups and carbon backbone structure, enabling diverse chemical behaviors and applications. Additionally, many compounds in this range can be synthesized cost-effectively at industrial scale, using established processes with high yields, making them economically viable for widespread use.
How are 113 g/mol compounds typically detected in environmental samples?
Environmental detection of compounds in the 113 g/mol range typically employs a multi-step approach. Initial screening often uses gas chromatography-mass spectrometry (GC-MS) for volatile compounds or liquid chromatography-mass spectrometry (LC-MS) for less volatile substances. Sample preparation depends on the matrix: liquid-liquid extraction for water samples, solid-phase extraction for more complex matrices, and thermal desorption or solvent extraction for air samples. Detection limits typically range from parts-per-billion to parts-per-trillion depending on the specific compound and analytical method. Confirmation often requires comparing retention times and mass spectral patterns with authenticated standards. For routine monitoring, automated systems using selective detectors can be deployed for specific compounds of concern.
What safety precautions should be taken when working with 113 g/mol compounds?
Safety precautions for 113 g/mol compounds vary by specific substance but generally include: 1) Proper ventilation systems or fume hoods to prevent inhalation exposure, 2) Appropriate personal protective equipment including gloves resistant to the specific chemical (nitrile, butyl rubber, or Viton depending on the compound), 3) Splash-proof goggles and lab coats to prevent skin and eye contact, 4) Proper storage in compatible containers away from incompatible materials and ignition sources, 5) Regular monitoring of workplace air quality for volatile compounds, 6) Spill containment protocols and materials appropriate for the specific chemical properties, and 7) Training on Safety Data Sheet interpretation and emergency procedures. Always consult compound-specific safety guidelines as requirements vary significantly between different substances in this molecular weight range.
How do regulations affect the use of compounds with molecular weights around 113 g/mol?
Regulatory frameworks for 113 g/mol compounds vary globally but generally focus on hazard classification, exposure limits, and use restrictions. In the European Union, REACH regulation requires registration with extensive safety data for production volumes above 1 metric ton annually. The US Toxic Substances Control Act (TSCA) maintains an inventory of approved chemicals with reporting requirements for new substances or significant new uses. Many compounds in this weight range face specific restrictions in consumer products, particularly in children's items. Volatile organic compound (VOC) regulations limit their use in coatings and consumer products in many regions. International agreements like the Montreal Protocol restrict ozone-depleting substances, affecting some halogenated compounds in this weight range. Companies must maintain regulatory intelligence systems to track evolving requirements across different jurisdictions.
What role do 113 g/mol compounds play in green chemistry initiatives?
Compounds with molecular weights around 113 g/mol play dual roles in green chemistry initiatives. As targets for replacement, traditional petroleum-derived compounds in this range with toxicity or persistence issues are being phased out in favor of bio-based alternatives with improved environmental profiles. Simultaneously, certain 113 g/mol compounds serve as enabling technologies for green chemistry, functioning as biocatalysts, selective solvents for more efficient processes, reaction mediators that reduce waste, and components in energy storage technologies. Research priorities include developing drop-in replacements that maintain performance while reducing environmental impact, creating new synthetic pathways using renewable feedstocks, designing molecules for easier recyclability, and establishing green metrics to quantify improvements. This molecular weight range represents a critical frontier in sustainable chemistry development.