CAS Registry Number: 78473-00-4

Name:

Benzonitrile, 4-​amino-​3,​5-​dichloro-
2,​6-​Dichloro-​4-​cyanoaniline; 3,​5-​Dichloro-​4-​aminobenzonitrile; 4-​Amino-​3,​5-​dichlorobenzonitrile; 4-​Cyano-​2,​6-​dichloroaniline; 4-​Cyano-​2,​6-​dichlorobenzenamine 

Chemical Formula: C7H4Cl2N2
Exact Mass: 185.98
Molecular Weight: 187.03
m/z: 185.98 (100.0%), 187.97 (63.9%), 189.97 (10.3%), 186.98 (7.6%), 188.98 (4.9%)

InChI: InChI=1S/C7H4Cl2N2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2H,11H2
InChIKey: COFNCCWGWXFACE-UHFFFAOYSA-N
Canonical SMILES : C1=C(C=C(C(=C1Cl)N)Cl)C#N

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
2. (2) Augustine, John Kallikat; Synlett 2011, (15), P2223-2227 CAPLUS
3. (3) Weissberger, Arnold; US 2511231 1950 CAPLUS