4,4'-METHYLENEBIS(2-CHLOROANILINE)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H12Cl2N2
Molecular Weight	267.154
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4,4'-METHYLENEBIS(2-CHLOROANILINE)

Structure Search

SMILES

NC1=C(Cl)C=C(CC2=CC(Cl)=C(N)C=C2)C=C1

InChI

InChIKey=IBOFVQJTBBUKMU-UHFFFAOYSA-N

InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2

HIDE SMILES / InChI

Molecular Formula	C13H12Cl2N2
Molecular Weight	267.154
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Urinary bladder tumors in dogs from 4,4'-methylene-bis (2-chloroaniline) (MOCA).	1978 Sep-Oct	722185
Determination of the tumorigenic potential of methylene-bis-orthochloroaniline.	1979 May-Jun	512554
Contributions of human liver cytochrome P450 enzymes to the N-oxidation of 4,4'-methylene-bis(2-chloroaniline).	1992 Feb	1740010
Immunochemical, 32P-postlabeling, and GC/MS detection of 4-aminobiphenyl-DNA adducts in human peripheral lung in relation to metabolic activation pathways involving pulmonary N-oxidation, conjugation, and peroxidation.	1997 Aug 1	9288889
Carcinogen substrate specificity of human COX-1 and COX-2.	2001 Jan	11159734
Embryonic turkey liver: activities of biotransformation enzymes and activation of DNA-reactive carcinogens.	2004 Oct	15167984
Bladder cancer screening and monitoring of 4,4'-methylenebis(2-chloroaniline) exposure among workers in Taiwan.	2005 Aug	16098360
Identification and characterization of functional rat arylamine N-acetyltransferase 3: comparisons with rat arylamine N-acetyltransferases 1 and 2.	2006 Oct	16829624
Simultaneous analysis of urinary 4,4'-methylenebis(2-chloroaniline) and N-acetyl 4,4'-methylenebis(2-chloroaniline) using solid-phase extraction and liquid chromatography/tandem mass spectrometry.	2007	18008389
Oxidative Stress Mechanisms Do Not Discriminate between Genotoxic and Nongenotoxic Liver Carcinogens.	2015 Aug 17	26198647

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:55:38 GMT 2023` Edited by `admin` on `Fri Dec 15 18:55:38 GMT 2023`
Record UNII	3L2W5VTT2A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4,4'-METHYLENEBIS(2-CHLOROANILINE)

Systematic Name

English

METHYLENEBIS(O-CHLOROANILINE)

Common Name

English

4,4'-DIAMINO-3,3'-DICHLORODIPHENYLMETHANE

Common Name

English

METHYLENEBIS(CHLOROANILINE) [HSDB]

Common Name

English

DI-(4-AMINO-3-CHLOROPHENYL)METHANE

Systematic Name

English

4,4'-METHYLENEBIS(2-CHLOROANILINE) [IARC]

Common Name

English

NSC-52954

Code

English

4,4'-METHYLENEBIS(2-CHLOROBENZENAMINE)

Systematic Name

English

4,4'-METHYLENEBIS(2-CHLOROANILINE) [MI]

Common Name

English

BENZENAMINE, 4,4'-METHYLENEBIS(2-CHLORO-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

202-918-9