CAS Registry Number: 54730-35-7

Name:

Benzenamine, 3,​5-​dichloro-​4-​methyl-
p-​Toluidine, 3,​5-​dichloro- (7CI); 3,​5-​Dichloro-​4-​methylaniline; 3,​5-​Dichloro-​4-​methylbenzenamine; 3,​5-​Dichloro-​4-​methylphenylamine; 3,​5-​Dichloro-​p-​toluidine; 4-​Amino-​2,​6-​dichlorotoluene 

Chemical Formula: C7H7Cl2N
Exact Mass: 175.00
Molecular Weight: 176.04
m/z: 175.00 (100.0%), 176.99 (63.9%), 178.99 (10.2%), 176.00 (7.7%), 178.00 (4.9%)
Elemental Analysis: C, 47.76; H, 4.01; Cl, 40.28; N, 7.96

InChI: InChI=1S/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1H3
InChIKey: GTEUMCIATAHZFK-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1Cl)N)Cl

Specification

98%

1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
2. (2) De Lang, Robbert-Jan; Tetrahedron 1998, V54(12), P2953-2966 CAPLUS
3. (3) Suthers, B. R.; Journal of Organic Chemistry 1962, V27, P447-51 CAPLUS