3,3'-Dichlorobenzidine Dihydrochloride - CAS 612-83-9

Name: 3,3'-Dichlorobenzidine Dihydrochloride
Brand: BOC Sciences
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Catalog:	BB068067
Product Name:	3,3'-Dichlorobenzidine Dihydrochloride
CAS:	612-83-9
Synonyms:	3,3'-Dichloro-[1,1'-biphenyl]-4,4'-diamine; 3,3'-Dichloro-4,4'-diaminobiphenyl Dihydrochloride; 3,3'-Dichloro-p,p'-bianiline Dihydrochloride; 3,3'-Dichlorobiphenyl-4,4'-diamine Dihydrochloride; 4,4'-Bis(2-chloroaniline) Dihydrochloride; 4,4'-Diamino-3,3'-dichlorobiphenyl Dihydrochloride; 4,4'-Diamino-3,3'-dichlorodiphenyl Dihydrochloride; 4'-Amino-3,3'-dichloro[1,1'-biphenyl]-4-ylamine Dihydrochloride; C.I. 23060 Dihydrochloride; Curithane C 126 Dihydrochloride; NSC 154073 Dihydrochloride; o,o'-Dichlorobenzidine Dihydrochloride

Technical Data

IUPAC Name:	4-(4-amino-3-chlorophenyl)-2-chloroanilinedihydrochloride
Description:	3,3'-Dichlorobenzidine Dihydrochloride, is structurally similar to Benzidine (B121000), and thus is considered a carcinogen. It can be used in the production of azo dyes. Dyes and metabolites, Environmental Testing
Molecular Weight:	326.05
Molecular Formula:	C12H12Cl4N2
Canonical SMILES:	C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl
InChI:	InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H22*1H
InChI Key:	BXAONUZFBUNTQR-UHFFFAOYSA-N
Melting Point:	>156°C (dec.)
Solubility:	Chloroform (Slightly), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
Appearance:	White to Off-White Solid
Storage:	4°C, Hygroscopic
References:	Min, Zh., et al. Chem. Res. Toxic., 26, 741 (2013); Rainer, F., et al. Mutation Research, Fundamental and Molecular Mechanisms of Mutagenesis, 691, 27 (2010).

GHS Hazard Statement:	H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P203, P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P318, P321, P333+P313, P362+P364, P391, P405, and P501
Signal Word:	Danger

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	325.972509
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	323.975459
Rotatable Bond Count:	1
Topological Polar Surface Area:	52Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0