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2-Amino-4-chlorobenzonitrile

ALDRICH/405280 - 99%

Synonym: 4-Chloroanthranilonitrile; 5-Chloro-2-cyanoaniline

CAS Number: 38487-86-4
Empirical Formula (Hill Notation): C7H5ClN2
Molecular Weight: 152.58
EC Number: 253-967-8
MDL Number: MFCD00035927
Linear Formula: H2NC6H3(Cl)CN
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-405280-10G 10 g
 $86.70
1/EA		 Add To Favorites
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 405280-50G

 

assay 99%
form powder
functional group chloro
  nitrile
InChI 1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChI key UZHALXIAWJOLLR-UHFFFAOYSA-N
mp 157-162 °C (lit.)
Quality Level 100 
SMILES string Nc1cc(Cl)ccc1C#N
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
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.
Packaging: 10, 50 g in glass bottle
Purity 99%
mp 157-162 °C (lit.)
UNSPSC 12352100

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