Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,3`-디메틸-4,4`-디아미노디페닐메탄
3,3`-디메틸-4,4`-디아미노디페닐메탄 · 4,4'-메틸렌비스(2-메틸아닐린) · 4.4`-메틸렌디-o-톨루이딘 · 4,4'-메틸레네다이-o-톨루이딘 · 4,4'-methylenedi-o-toluidine · mbot · me-mda · Kayahard MDT
식별자 및 물리적 특성
| CAS No. | 838-88-0 |
|---|---|
| 분자식 | C15H18N2 |
| 평균 분자량 | 226.32 g/mol |
| 단동위원소 질량 | 226.14699858 g/mol |
| SMILES | Cc1cc(Cc2ccc(N)c(C)c2)ccc1N |
| InChIKey | WECDUOXQLAIPQW-UHFFFAOYSA-N |
| PubChem CID | 13283 |
| ChEMBL | CHEMBL313443 |
| ChEBI | CHEBI:82343 |
| EC No. | 212-658-8 |
| DTXSID | DTXSID5020867 |
| 현지명 | 3,3`-디메틸-4,4`-디아미노디페닐메탄 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 52 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 217 |
| 물질 분류 | Carcinogens |
| 용해도 | >33.9 [ug/mL] (The mean of the results at pH 7.4)클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| Collision Cross Section | 171.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5020867] |
| 녹는점 | 155-157 °C |
| 끓는 점 | 357.94°C (rough estimate) |
| 밀도 | 0.9543 (rough estimate) |
| 증기압 | 1.8hPa at 205.5℃ |
| 굴절률 | 1.5000 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 물에 불용성 |
| pKa(산도 계수) | 5.18±0.25(Predicted) |
| 색상 | White to Light yellow to Light orange |
| BRN | 398069 |
| 주요 응용 | 청소용품화장품환경음식 및 음료개인 위생 관리 |
| 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 |
| EPA | 4,4'-Methylenebis(2-methylaniline) (838-88-0) |
화학적 성질
White powder. Soluble in ethanol and hot water.
안전 및 규제
| GHS 분류 | DangerH302: 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)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityStatus: Active Update: 05-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19096Substance: 4,4'-methylenedi-o-toluidineThe 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 | Acute Tox. 4 (100%)Carcinogenicity - category 1BAcute toxicity (Oral) - Category 4CarcinogensCarc. 1B |
| Carcinogen Classification | 4,4'-Methylene bis(2-methylaniline)Group 2B: Possibly carcinogenic to humansVolume 4: (1974) Some Aromatic Amines, Hydrazine and Related Substances, N-Nitroso Compounds and Miscellaneous Alkylating Agents1987 |
| RAIS Toxicity Values | 0.00026CALEPA0.92 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | BY5300000 |
| 운송 번호(UN) | UN 3077 9/PG 3 |
| 관세 코드 | 29215900 |
| 위험 문구(R) | 45-22-43-50/53 |
| 위험 표시 | T,N |
| 안전 문구(S) | 53-45-60-61 |
| 포장분류 | III |
용도
용도
4,4'-Diamino-3,3'-dimethyldiphenylmethane can be used for preparation polyimide and epoxy resin material.
일반 설명
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.