Description

1-Chlorohexane (CAS No. 544-10-5) is a high-purity organic compound with the molecular formula C₆H₁₃Cl, widely utilized in synthetic chemistry and industrial applications. This clear, colorless liquid is characterized by its mild odor and excellent solubility in common organic solvents, making it a versatile reagent for alkylation, nucleophilic substitution, and as a precursor in the synthesis of more complex chemical entities. With a boiling point of approximately 134-135°C and a density of 0.879 g/mL at 25°C, 1-Chlorohexane is rigorously tested for purity (typically ≥98% by GC) to ensure optimal performance in research and manufacturing processes. Suitable for use under inert conditions, it is packaged in amber glass bottles or sealed drums to maintain stability and prevent degradation.

Key Features:

• High purity (≥98%) for reliable results
• Low water content for moisture-sensitive reactions
• Compatible with Grignard reactions and phase-transfer catalysis
• Stored under nitrogen to preserve reactivity

Properties

• CAS Number: 544-10-5
• Complexity: 27.4
• IUPAC Name: 1-chlorohexane
• InChI: InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
• InChI Key: MLRVZFYXUZQSRU-UHFFFAOYSA-N
• Exact Mass: 120.0705781
• Molecular Formula: C6H13Cl
• Molecular Weight: 120.62
• SMILES: CCCCCCCl
• Monoisotopic Mass: 120.0705781
• Physical Description: Mobil, clear liquid.
• Flash Point: 95 °F
• Vapor Pressure: 9.37 [mmHg]
• Synonyms: 1-CHLOROHEXANE, 544-10-5, Hexyl chloride, Chlorohexane, Hexane, 1-chloro-, n-Hexyl chloride, 1-Chloro-hexane, Triisobutenyl chloride, R5L7I6O9NW, Hexane, chloro-, UNII-R5L7I6O9NW, hexylchloride, hexylchoride, 1-chloranylhexane, 1-Hexyl chloride, EINECS 208-859-5, normal-Hexyl chloride, 1-Chlorohexane, 95%, 1-Chlorohexane, 99%, AI3-28589, EC 208-859-5, SCHEMBL42524, SCHEMBL51706, 1-CHLOROHEXANE [MI], SCHEMBL199851, CHEMBL156095, QSPL 014, SCHEMBL1130694, SCHEMBL1165079, SCHEMBL4938112, SCHEMBL6222285, SCHEMBL7980813, DTXSID1060265, SCHEMBL11839288, MLRVZFYXUZQSRU-UHFFFAOYSA-, MFCD00001018, SBB059952, STL481900, AKOS009156950, LS-13193, DB-052566, NS00007470, ST51046217, EN300-139288, A830166, Q15726107, InChI=1/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3

Application

1-Chlorohexane is primarily employed as an alkylating agent in organic synthesis, facilitating the introduction of hexyl groups into target molecules. It serves as a key intermediate in the production of surfactants, lubricant additives, and pharmaceuticals. Researchers also utilize it in polymer chemistry and as a solvent for specialized reactions requiring non-polar media. Its stability under controlled conditions makes it suitable for fine chemical manufacturing.

Safety and Hazards

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
• H412 (57.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (100%)
• Aquatic Chronic 3 (57.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.