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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
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
signalword
Warning
hcodes
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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