22819-91-6

Basic information

• Product Name: 7-CHLOROHEPTANONITRILE
• Synonyms: 6-CHLOROHEXYL CYANIDE;7-CHLOROHEPTANONITRILE;7-chloroheptane-1-nitrile;7-Chloroheptanenitrile;7-Chloroheptanonitrile,99%;7-CHLOROPE PANONURILE;7-chloroenanthonitrile
• CAS NO: 22819-91-6
• Molecular Formula: C₇H₁₂ClN
• Molecular Weight: 145.63
• EINECS: 245-249-8
• Mol File: 22819-91-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 80°C 0,6mm
• Flash Point: 80°C/0.6mm
• Appearance: /
• Density: 1,003 g/cm3
• Vapor Pressure: 0.0343mmHg at 25°C
• Refractive Index: 1.4520
• BRN: 1747798
• CAS DataBase Reference: 7-CHLOROHEPTANONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-CHLOROHEPTANONITRILE(22819-91-6)
• EPA Substance Registry System: 7-CHLOROHEPTANONITRILE(22819-91-6)

Safety Data

• Statements: 20/21/22
• Safety Statements: 28-36/37
• RIDADR: 3276
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 22819-91-6(Hazardous Substances Data)

Usage

General Description

7-Chloroheptanenitrile, also known as 7-chloroheptanenitrile, is a chemical compound with the molecular formula C7H13ClN. It is a colorless liquid with a faint, sweet odor, and it is typically used as an intermediate in the synthesis of pharmaceuticals and other organic compounds. This chemical is also used in the production of pesticides, surfactants, and other specialty chemicals. 7-Chloroheptanenitrile is classified as a hazardous substance, and exposure to it can cause irritation to the skin, eyes, and respiratory system. It should be handled and stored with proper safety precautions to avoid any potential health hazards.

InChI:InChI=1/C7H12ClN/c8-6-4-2-1-3-5-7-9/h1-6H2

Upstream product

• 143-33-9 sodium cyanide 
• 2163-00-0 1,6-dichlorohexane 
• 78-67-1 2,2'-azobis(isobutyronitrile) 
• 74-85-1 ethene 
• 506-77-4 cyanogen chloride 
• 4547-43-7 methyl 6-hydroxycaproate 
• 147566-01-6 7-(benzyloxy)heptanenitrile 
• 126519-80-0 6-benzyloxyhexyl 4-methylbenzenesulfonate 
• 78132-75-9 6-benzyloxy-hexanoic acid methyl ester 
• 502-44-3 hexahydro-2H-oxepin-2-one 
• 629-08-3 heptanenitrile 
• 60274-60-4 1-chloro-5-iodopentane 
• 75-05-8 acetonitrile 

Downstream Products

• 33695-75-9 7-(2,4-dichloro-phenoxy)-heptanenitrile 
• 117690-59-2 7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)heptanenitrile 
• 117705-93-8 1-(4-((6-(1H-tetrazol-5-yl)hexyl)oxy)-5-ethyl-2-hydroxyphenyl)ethanone 
• 1574276-83-7 (E)-β-(6-cyanohexyl)styrene 
• 1574276-84-8 (Z)-β-(6-cyanohexyl)styrene 
• 1329681-88-0 ethyl 5-(2-(6-chlorohexyl)-4-phenyl-1H-imidazol-1-yl)-1-p-tolyl-1H-1,2,4-triazole-3-carboxylate 
• 898786-68-0 8-(4-methoxyphenyl)-8-oxooctanenitrile 
• 76863-38-2 1-(4-Chloro-phenyl)-7-dimethylamino-heptan-1-one O-(3-amino-propyl)-oxime 
• 76852-63-6 4'-chloro-7-dimethylaminoheptanophenone 
• 76852-51-2 1-(4-Chloro-phenyl)-7-dimethylamino-heptan-1-one O-[2-(1-oxo-1λ⁴-thiomorpholin-4-yl)-ethyl]-oxime 
• 76852-50-1 1-(4-Chloro-phenyl)-7-dimethylamino-heptan-1-one O-{2-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-ethyl}-oxime 
• 76852-49-8 1-(4-Chloro-phenyl)-7-dimethylamino-heptan-1-one O-[2-(4-methyl-piperazin-1-yl)-ethyl]-oxime 
• 76852-62-5 1-(4-Chloro-phenyl)-7-dimethylamino-heptan-1-one O-(2-thiomorpholin-4-yl-ethyl)-oxime 
• 76852-48-7 1-(4-Chloro-phenyl)-7-dimethylamino-heptan-1-one O-(2-morpholin-4-yl-ethyl)-oxime 

Relevant articles and documents

Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists

Compound 1 (IC50 = 35.2 ± 7.2 μM), a moderate FXR antagonist was discovered via high-throughput screening. Structure-activity relationship studies indicated that the shape and the lipophilicity of the substituents of the aromatic ring affect the activity dramatically, increasing the shape and the lipophilicity of the substituents of the aromatic ring enhances the potency of FXR antagonists. Especially, when the OH at C2 position of the aromatic ring was replaced by the OBn substituent (analog 2b), its activity could be improved to IC50 = 1.1 ± 0.1 μM. Besides, the length of the linker and the tetrazole structure are essential for retaining the activity.

OXIDATIVE CHLORINATION OF ALKANONITRILES IN THE SYSTEM Na2S2O8 - CuCl2

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