4,4'-Diamino-3,3'-dimethyldiphenylmethane (HCID 13283)

概要

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

名称と識別子

優先名称: 4,4'-Diamino-3,3'-dimethyldiphenylmethane
IUPAC: 4-[(4-amino-3-methylphenyl)methyl]-2-methylaniline
現地名: 4,4'-ジアミノ-3,3'-ジメチルジフェニルメタン
英語名: 4,4'-Diamino-3,3'-dimethyldiphenylmethane
分子式: C15H18N2
分子量: 226.32

名称と別名

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

名称をさらに表示

4,4'-ジアミノ-3,3'-ジメチルジフェニルメタンカヤハルドMDT4,4'-メチレンビス(o-トルイジン)4-(4-アミノ-3-メチルベンジル)-2-メチルアニリン4,4'-メチレンジ(2-メチルアニリン)2,2'-ジメチル[4,4'-メチレンビスアニリン]4,4'-メチレンビス(2-メチルアニリン)3,3'-ジメチル-4,4'-ジアミノジフェニルメタン4,4'-メチレンビス(2-メチルベンゼンアミン)ビス(4-アミノ-3-メチルフェニル)メタンカヤハードMDT４，４’－メチレンビス（２－メチルアニリン）3，3’ジメチル4，4’ジアミノジフェニルメタン４，４’メチレンビス（２メチルアニリン）4,4'-メチレンジ-o-トルイジン4,4'-メチレンビス(2-メチルアニリン)、4,4'-メチレンビス-o-トルイジン2，2’-ジメチル-4，4’-メチレンジアニリン4,4'-ジアミノ-3,3'-ジメチルジフェニルメタン (別名:4,4'-メチレンジ-O-トルイジン、4,4'-メチレンビス(2-メチルアニリン))4,4′‐ジアミノ‐3,3′‐ジメチルジフェニルメタン標準品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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 52 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 217

実験および物理化学的性質

Chemical ClassesCarcinogens

Solubility>33.9 [ug/mL] (The mean of the results at pH 7.4)

Collision Cross Section171.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5020867]

物理化学的性質

融点: 155 · 155-157 °C
沸点: 357.94 °C · 357.94°C (rough estimate)
比重(密度): 0.9543 · 0.9543 (rough estimate)
蒸気圧: 1.8 hPa · 1.8hPa at 205.5℃
屈折率: 1.5 · 1.5000 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
水溶解度: Insoluble in water
溶解性: Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka): 5.18 · 5.18±0.25(Predicted)
色: White to Light yellow to Light orange
BRN: 398069 · 398069
主な用途: 洗浄剤化粧品環境食品および飲料パーソナルケア
InChI: 1S/C15H18N2/c1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13/h3-8H,9,16-17H2,1-2H3
InChIKey: WECDUOXQLAIPQW-UHFFFAOYSA-N
SMILES: Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
CAS データベース: 838 · 838-88-0(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4,4'-Methylenebis(2-methylaniline) (838-88-0)

化学的性質

化学的特性White powder. Soluble in ethanol and hot water.

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 4 件

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 件

Acute Tox. 4 (100%)

Carcinogenicity - category 1B

Acute toxicity (Oral) - Category 4

Carcinogenicity - Category 1B

Carcinogens

Carc. 1B

毒性情報

Carcinogen Classification · 5 件

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

RAIS Toxicity Values · 4 件

0.00026

CALEPA

0.92

CALEPA

安全データ

F: 10-23
wgk: 3
tsca: TSCA listed
rtecs: BY5300000
ridadr: UN 3077 9/PG 3
hs_code: 29215900
risk_code: 45-22-43-50/53
化審法: (4)-863
安衛法: 57,57-2
hazard_code: T,N
safety_code: 53-45-60-61
hazard_class: 6.1(b)
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 1BSkin Sens. 1
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

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

応用分野 · 4 件

用途樹脂硬化剤

用途エポキシ樹脂?ウレタン樹脂用硬化剤、合成樹脂中間体

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

一般的な説明4,4′-Methylene-bis(2-methylaniline) belongs to the primary aromatic amines (PAAs) family of compounds which are toxic in nature and are probable human carcinogens.

上流・下流製品情報

上流原料

ホルマリン o-トルイジン塩酸

下流製品

ニューフクシン

サプライヤー50 社

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]

4,4'-ジアミノ-3,3'-ジメチルジフェニルメタン

基本情報

概要