17849-62-6

Basic information

• Product Name: 2-CHLORO-3-PHENYLPROPIONITRILE
• Synonyms: 2-Chloro-3-phenylpropanenitrile;Benzenepropanenitrile, α-chloro-
• CAS NO: 17849-62-6
• Molecular Formula: C₉H₈ClN
• Molecular Weight: 165.62
• Mol File: 17849-62-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 284.1°C at 760 mmHg
• Flash Point: 123°C
• Appearance: /
• Density: 1.15g/cm³
• Vapor Pressure: 0.00305mmHg at 25°C
• Refractive Index: 1.54
• CAS DataBase Reference: 2-CHLORO-3-PHENYLPROPIONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-3-PHENYLPROPIONITRILE(17849-62-6)
• EPA Substance Registry System: 2-CHLORO-3-PHENYLPROPIONITRILE(17849-62-6)

Safety Data

• Hazardous Substances Data: 17849-62-6(Hazardous Substances Data)

Usage

General Description

2-Chloro-3-phenylpropionitrile is a chemical compound with the molecular formula C9H7ClN. It is a colorless to light yellow liquid with a strong, pungent odor, and it is primarily used as an intermediate in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. 2-CHLORO-3-PHENYLPROPIONITRILE is a nitrile, which means it contains a triple bond between a carbon and a nitrogen atom, and the presence of a phenyl and chlorine group in its structure adds to its reactivity and versatility in chemical synthesis processes. Additionally, 2-Chloro-3-phenylpropionitrile is known to be a potential irritant to the skin, eyes, and respiratory system, and as such, it should be handled and used with appropriate safety precautions in a controlled laboratory or industrial setting.

InChI:InChI=1/C9H8ClN/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9H,6H2/t9-/m1/s1

Upstream product

• 7446-70-0 aluminium trichloride 
• 107-13-1 acrylonitrile 
• 108-90-7 chlorobenzene 
• 127-09-3 sodium acetate 
• 100-34-5 benzene diazonium chloride 
• 67-64-1 acetone 
• 93554-96-2 α-<(trimethylsilyl)oxy>benzenepropanenitrile 
• 122-78-1 phenylacetaldehyde 
• 62-53-3 aniline 
• 50353-47-4 phenyl acetaldehyde cyanohydrin 

Downstream Products

• 1885-38-7 cinnamic nitrile 
• 24840-05-9 (Z)-cinnamonitrile 
• 65791-95-9 2-Nitro-2-cyano-1-phenyl-ethan 
• 65792-02-1 2-(1-Cyano-2-phenyl-ethylsulfanyl)-3-phenyl-propionitrile 
• 23052-05-3 N-phenyl-DL-phenylalanine 
• 501-52-0 3-Phenylpropionic acid 
• 18166-56-8 α-chloro-β-phenylpropionamide 
• 7474-06-8 2-chloro-3-phenylpropionic acid 
• 7497-19-0 (S)-2-chloro-3-phenyl-propionic acid ethyl ester 
• 16503-53-0 2-bromo-3-phenylpropanoic acid 

Relevant articles and documents

Nickel-Catalyzed Asymmetric Reductive Cross-Coupling between Heteroaryl Iodides and α-Chloronitriles

A Ni-catalyzed asymmetric reductive cross-coupling of heteroaryl iodides and α-chloronitriles has been developed. This method furnishes enantioenriched α,α-disubstituted nitriles from simple organohalide building blocks. The reaction tolerates a variety of heterocyclic coupling partners, including pyridines, pyrimidines, quinolines, thiophenes, and piperidines. The reaction proceeds under mild conditions at room temperature and precludes the need to pregenerate organometallic nucleophiles.

Process for producing a halogen-containing ethylbenzene derivative

A process for producing a halogen-containing ethylbenzene derivative represented by the general formula: STR1 where X is a halogen atom, and W is a nitrile group, a carboxyl group, a lower alkoxycarbonyl group or an amidocarbonyl group, which comprises diazotizing aniline with a nitrite in a solution mixture comprising a hydrophilic organic solvent, an aqueous mineral acid solution and a vinyl compound represented by the general formula: where W is as defined above, to form a benzenediazonium salt, and reacting the benzenediazonium salt, without isolating it from the reaction system, with said vinyl compound in the presence of halogen ions and a copper compound as a catalyst.

Direct Conversion of Arylamines to the Halides by Deamination with Thionitrite or Related Compounds and Anhydrous Copper(II) Halides

Reactions of various arylamines with either t-butyl thionitrite, t-butyl thionitrate, or p-toluenesulfonyl nitrite in the presence of anhydrous copper(II) halides under mild conditions gave corresponding aryl halides in good yields.This reaction in the presence of such olefins as acrylonitrile, styrene, and acrylic acid gave the corresponding 2-aryl-1-haloethanes as the main products. t-Butyl thionitrite, t-butyl thionitrate, and p-toluenesulfonyl nitrite were found to be better deaminative reagents than alkyl nitrites or alkyl nitrates due to their weak sulfur-nitrogen bonds.