1001-89-4

Basic information

• Product Name: 2-CHLOROHEPTANE
• Synonyms: (±)-heptane,2-chloro-;(R,S)-2-chloro-heptane;(R.S)-2-chloro-heptane;1-Chlorheptan;1-chloro-heptan;heptane,1-chloro-;Heptane,2-chloro-;Heptylchlorid
• CAS NO: 1001-89-4
• Molecular Formula: C₇H₁₅Cl
• Molecular Weight: 134.65
• EINECS: 213-683-7
• Mol File: 1001-89-4.mol
• Article Data: 9

Chemical Properties

• Melting Point: -69.5°C (estimate)
• Boiling Point: 146 °C
• Flash Point: 39.2±16.5℃
• Appearance: /
• Density: 0,87 g/cm3
• Vapor Pressure: 5mmHg at 25°C
• Refractive Index: 1.42954 (20℃)
• CAS DataBase Reference: 2-CHLOROHEPTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROHEPTANE(1001-89-4)
• EPA Substance Registry System: 2-CHLOROHEPTANE(1001-89-4)

Safety Data

• Hazard Codes: F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• RIDADR: 1993
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 1001-89-4(Hazardous Substances Data)

Usage

General Description

2-Chloroheptane is a chemical compound with the molecular formula C7H15Cl. It is a colorless liquid that is insoluble in water and is commonly used as a solvent and intermediate in organic synthesis. Its main applications include its use as a reactant in the production of pharmaceuticals, agrochemicals, and fragrances. It is also used as a raw material in the production of other organic compounds. 2-Chloroheptane is a flammable and potentially hazardous substance that should be handled with care and in accordance with proper safety protocols.

InChI:InChI=1/C7H15Cl/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3

Upstream product

• 142-82-5 n-heptane 
• 762-46-9 1-methylhexyl-hydroperoxide 
• 110-43-0 n-pentyl methyl ketone 
• 592-76-7 1-Heptene 
• 661-11-0 1-fluoroheptane 
• 52390-72-4 2-Heptanol 

Relevant articles and documents

Halogen-exchange reactions between alkyl fluorides and boron trihalides or tetrahalides. A convenient synthesis of alkyl halides from alkyl fluorides

A simple and effective method for converting fluoroalkanes to their corresponding chloro-, bromo- and iodo-alkanes using commercially available boron trihalides and titanium tetrahalides is described. - Keywords: Halogen-exchange reactions; Alkyl fluorides; Boron trihalides; Titanium tetrahalides; NMR spectroscopy; Mass spectrometry

Carbon-13 Nuclear Magnetic Resonance of Mono- and Di-chloro-hexanes and Mono- and Di-chloro-heptanes. Assignment of Configurations

Carbon-13 NMR spectra of mono- and dichloro-hexanes and mono- and dichloro-heptanes are reported.Substituent effects for α, β and γ positions are presented.Differences between the 13C chemical shifts of diastereoisomers are observed in the cases of 2,4- and 2,5-dichlorohexanes and 2,4-, 2,5- and 3,5-dichloroheptanes.

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Ferric chloride–catalyzed deoxygenative chlorination of carbonyl compounds: A comparison of chlorodimethylsilane and dichloromethylsilane system

Deoxygenative chlorination of carbonyl compounds using the HMe2SiCl/FeCl3/EtOAc and HMeSiCl2/FeCl3/EtOAc systems has been systemically investigated. The HMe2SiCl-FeCl3 system showed the advantages of good substrate applicability, mild reaction conditions, simple operation, low cost, and easy availability of raw materials. Also, it provided a simple and efficient synthesis route for carbonyl deoxychlorination via a one-pot method. Using the HMeSiCl2/FeCl3/EtOAc system, the β-methylchalcone derivative could be obtained in good yields in addition to obtaining the chlorinated compound. Finally, two plausible reaction routes were proposed to describe the formation of the chlorinated compound and the β-methylchalcone derivative.