4,4'-Diamino-3,3'-dimethyldiphenylmethane

HCID 13283
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
838-88-0
Standard SMILES
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChIKey
WECDUOXQLAIPQW-UHFFFAOYSA-N
Molecular formula
C15H18N2
Average molar mass
226.32 g/mol
Monoisotopic mass
226.14699858

Overview

4,4'-Methylene bis(2-methylaniline) can cause cancer according to an independent committee of scientific and health experts.

Names & identifiers

Preferred name
4,4'-Diamino-3,3'-dimethyldiphenylmethane
IUPAC
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
English name
4,4'-Diamino-3,3'-dimethyldiphenylmethane
Molecular formula
C15H18N2
Molecular weight
226.32

Names & synonyms

838-88-04,4'-Methylenebis(2-methylaniline)4,4'-Diamino-3,3'-dimethyldiphenylmethane4,4'-Methylenedi-o-toluidine3,3'-Dimethyl-4,4'-diaminodiphenylmethane4,4'-Methylenebis(o-toluidine)4,4'-Methylene bis(2-methylaniline)Bis(3-methyl-4-aminophenyl)methaneo-Toluidine, 4,4'-methylenedi-Bis(4-amino-3-methylphenyl)methaneAniline, 4,4'-methylenebis(2-methyl-2,2'-Dimethyl-4,4'-methylenedianiline
Show more names
mbotme-mdaKayahard MDT4.4'-DiaMino-3Methylene-bis(2-Methylani4,4’-methylenedi-o-toluidin4,4 -Methylendi-o-toluidine4,4'-METHYLENEBIS-O-TOLUIDINE4,4'-METHYLENE-DI(O-TOLUIDINE)
Benzenamine, 4,4'-methylenebis[2-methyl-DTXSID5020867OM5XWD3S2IBenzenamine, 4,4'-methylenebis(2-methyl-4,4'-methylene di-ortho-toluidineNSC-37146KAYABOND C 100DTXCID10867

Database identifiers

CAS
838-88-0
PubChem CID
13283
DTXSID
DTXSID5020867
ChEMBL
CHEMBL313443
ChEBI
CHEBI:82343
UNII
OM5XWD3S2I
EC Number
212-658-8
Nikkaji
J13.156C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
52 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

Chemical ClassesCarcinogens
Solubility>33.9 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section171.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5020867]

Physicochemical properties

Melting point
155 · 155-157 °C
Boiling point
357.94 °C · 357.94°C (rough estimate)
Density
0.9543 · 0.9543 (rough estimate)
vapor pressure
1.8 hPa · 1.8hPa at 205.5℃
refractive index
1.5 · 1.5000 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 4 items

Hazard Traits - Carcinogenicity

Status: Active Update: 05-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19096

Substance: 4,4'-methylenedi-o-toluidine

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 6 items

Acute Tox. 4 (100%)

Carcinogenicity - category 1B

Acute toxicity (Oral) - Category 4

Carcinogenicity - Category 1B

Carcinogens

Carc. 1B

Toxicology

Carcinogen Classification · 5 items

4,4'-Methylene bis(2-methylaniline)

Group 2B: Possibly carcinogenic to humans

Volume 4: (1974) Some Aromatic Amines, Hydrazine and Related Substances, N-Nitroso Compounds and Miscellaneous Alkylating Agents

1987

1987

RAIS Toxicity Values · 4 items

0.00026

CALEPA

0.92

CALEPA

Safety data

F
10-23
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
rtecs
BY5300000
ridadr
UN 3077 9/PG 3

Chemistry & industry

Uses & manufacturing

UsesSubstance listed with specific concentration in tattoo ink and/or permanent make up according to EU Commission Regulation 2020/2081. The concentration limit (by weight) is 0.0005%.
General Manufacturing InformationBenzenamine, 4,4'-methylenebis[2-methyl-: ACTIVE
Applications · 3 items

Uses4,4′-Methylene-bis(2-methylaniline) has been used as a reference standard for the determination of 4,4′-methylene-bis(2-methylaniline) in plastic multilayer food packaging materials by liquid chromatography (LC)-Orbitrap-full scan-high resolution mass spectrometry (HRMS). It may be used as a reference standard for the analysis of 4,4′-methylene-bis(2-methylaniline) in dyes, cosmetics, finger paints and inks for pens and tattoos by LC-MS.

Uses4,4'-Diamino-3,3'-dimethyldiphenylmethane can be used for preparation polyimide and epoxy resin material.

General Description4,4′-Methylene-bis(2-methylaniline) belongs to the primary aromatic amines (PAAs) family of compounds which are toxic in nature and are probable human carcinogens.

Upstream & downstream products

Downstream products

Suppliers94 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Additional notes

DefinitionChEBI: 4,4'-Methylene bis(2-methylaniline) is a diarylmethane.

Related reactions

1 records
New reaction record

Compound notes

Loading…