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About This Item

Linear Formula:
H2NC6H3(Cl)CN
CAS Number:
Molecular Weight:
152.58
Beilstein/REAXYS Number:
2085559
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level

assay

99%

form

powder

mp

157-162 °C (lit.)

functional group

chloro
nitrile

SMILES string

Nc1cc(Cl)ccc1C#N

InChI

1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2

InChI key

UZHALXIAWJOLLR-UHFFFAOYSA-N

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General description

2-Amino-4-chlorobenzonitrile (2A4CBN) is a benzonitrile derivative. A study of the molecular structure, vibrational spectra and NBO analysis of 2A4CBN has been undertaken. Transformation of 2A4CBN into quinazoline-2,4(1H,3H)-diones at atmospheric pressure of CO2 in the presence of monomeric tungstate, TBA2[WO4] (TBA = tetra-n-butylammonium) has been reported.

Application

2-Amino-4-chlorobenzonitrile may be used in the preparation of the following:
  • 6-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
  • 7-chloro-4-(1-diethylamino-4-pentylamino)-2-(p-methoxyphenyl)-quinazoline dihydrochloride
  • 4,7-dichloro-2-(2-methylprop-1-enyl)-6-nitroquinazoline
  • 6-chlorotacrine
  • N-(2-chloro-5-cyanophenyl)-4,4,4-trifluorobutanamide

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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