3,3`-디메틸-4,4`-디아미노디페닐메탄

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

HCID 13283CAS 838-88-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
InChIKey
WECDUOXQLAIPQW-UHFFFAOYSA-N
분자식
C15H18N2
평균 분자량
226.32 g/mol
단동위원소 질량
226.14699858

개요

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

이름 및 식별자

우선 이름
4,4'-Diamino-3,3'-dimethyldiphenylmethane
IUPAC
4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
현지명
3,3`-디메틸-4,4`-디아미노디페닐메탄
영어명
4,4'-Diamino-3,3'-dimethyldiphenylmethane
분자식
C15H18N2
분자량
226.32

이름 및 동의어

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
이름 더 보기
3,3`-디메틸-4,4`-디아미노디페닐메탄4,4'-메틸렌비스(2-메틸아닐린)4.4`-메틸렌디-o-톨루이딘4,4'-메틸레네다이-o-톨루이딘mbotme-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
2.6
극성 표면적
52 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
17

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점
155 · 155-157 °C
끓는 점
357.94 °C · 357.94°C (rough estimate)
밀도
0.9543 · 0.9543 (rough estimate)
증기압
1.8 hPa · 1.8hPa at 205.5℃
굴절률
1.5 · 1.5000 (estimate)
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

White powder. Soluble in ethanol and hot water.

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 4건

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 · 6건

Acute Tox. 4 (100%)

Carcinogenicity - category 1B

Acute toxicity (Oral) - Category 4

Carcinogenicity - Category 1B

Carcinogens

Carc. 1B

독성 정보

Carcinogen Classification · 5건

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 · 4건

0.00026

CALEPA

0.92

CALEPA

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
BY5300000
ridadr
UN 3077 9/PG 3
HS 번호
29215900
risk_code
45-22-43-50/53

화학 및 산업

용도 및 제조

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

응용 분야

용도4,4'-Diamino-3,3'-dimethyldiphenylmethane can be used for preparation polyimide and epoxy resin material.

일반 설명4,4′-Methylene-bis(2-methylaniline) belongs to the primary aromatic amines (PAAs) family of compounds which are toxic in nature and are probable human carcinogens.

상·하류 제품 정보

공급사50 곳

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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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