ChemicalBook--->CAS DataBase List--->52516-37-7

52516-37-7

52516-37-7 Structure

52516-37-7 Structure
IdentificationBack Directory
[Name]

2-(3,5-dichlorophenyl)acetonitrile
[CAS]

52516-37-7
[Synonyms]

3,5-Dichlorobenzyl cyanide
3,5-Dichlorophenylacetonitrile
3,5-dichlorobenzeneacetonitrile
2-(3,5-dichlorophenyl)acetonitrile
Benzeneacetonitrile, 3,5-dichloro-
[Molecular Formula]

C8H5Cl2N
[MDL Number]

MFCD09923674
[MOL File]

52516-37-7.mol
[Molecular Weight]

186.04
Chemical PropertiesBack Directory
[Boiling point ]

287℃
[density ]

1.333
[Fp ]

124℃
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[Appearance]

Light brown to brown Solid
[InChI]

1S/C8H5Cl2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
[InChIKey]

DLAKEJZPXICNSC-UHFFFAOYSA-N
[SMILES]

ClC1=CC(Cl)=CC(CC#N)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[WGK Germany ]

WGK 3
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

2-(3,5-Dichlorophenyl)acetonitrile is used in the synthesis of 6-arylpyrido[2,3-d]pyrimidines as ATP-competitive inhibitors of bacterial -alanine:-alanine ligase.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3,5-dichlorophenyl)acetonitrile(52516-37-7)1HNMR
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