Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4,4'-메틸렌비스(N,N-디메틸)벤젠아민
4,4'-메틸렌비스(N,N-디메틸)벤젠아민 · N,N,N',N-테트라메틸-4,4'-메틸렌다이아닐린 · michler’sbase · Michler's base · N,N,N',N'-TETRAMETHYL-4,4'-METHYLENEDIANILINE · NCI-C01990 · TETRA BASE · Methane Bas
식별자 및 물리적 특성
| CAS No. | 101-61-1 |
|---|---|
| 분자식 | C17H22N2 |
| 평균 분자량 | 254.37 g/mol |
| 단동위원소 질량 | 254.1782987 g/mol |
| SMILES | CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1 |
| InChIKey | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| PubChem CID | 7567 |
| ChEMBL | CHEMBL1613260 |
| ChEBI | CHEBI:34370 |
| EC No. | 202-959-2 |
| DTXSID | DTXSID5020869 |
| 현지명 | 4,4'-메틸렌비스(N,N-디메틸)벤젠아민 |
화학 및 물리적 성질
| XLogP | 3.9 |
|---|---|
| 극성 표면적 | 6.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 220 |
| 물질 분류 | Carcinogens |
| Polymers | Nitrogen Compounds -> Amines, Polyaromatic |
| 농약 | Pesticide -> EPA IRIS |
| 밀도 | 1.14 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0344 (rough estimate) |
| Color/Form | Lustrous leafletsYellowish leaflets or glistening platesPlatelets or tablets from alcohol, ligand |
| 용해도 | less than 1 mg/mL at 72 °F (NTP, 1992)Insoluble in waterSoluble in benzene, ether, carbon disulfide, acidsslightly soluble in cold alcohol, more soluble in hot alcoholSlightly soluble in ethanolsoluble in acidvery soluble in ether, benzene, carbon disulfide |
| 인화점 | 412 °F (NTP, 1992)211 °C178 °C |
| 끓는 점 | 734 °F at 760 mmHg (NTP, 1992)390 °C decomposesBP: 155-157 °C at 0.1 mm HgBP: 183 °C at 3 mm Hg |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| 녹는점 | 194 to 196 °F (NTP, 1992)91.5 °C88-89 °C(lit.) |
| 증기압 | less than 0.000075 mmHg at 68 °F (NTP, 1992)0.0000175 [mmHg] |
| Physical Description | Yellowish glistening leaflets or plates or tan crystals. Weak odor. Sublimes without decomposition. (NTP, 1992)Yellowish solid[Hawley] Crystalline powder[MSDSonline] |
| 굴절률 | 1.5794 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정질 분말, 결정 및/또는 덩어리 |
| pKa(산도 계수) | 5.57±0.12(Predicted) |
| 색상 | 황백색 또는 밝은 회색 또는 베이지색 갈색 |
| 용해도 | 불용성 |
| Merck | 14,6176 |
| BRN | 479956 |
| 헨리 상수 | 8.2×101 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 타기 쉬운. 강산화제, 산, 산 염화물, 산 무수물, 활성 금속, 산화물, 염소산염, 할로겐화 화합물, 염화철, 니트로 화합물, 과산화물, 강암모니아 용액, 황화물, 비닐 중합체와 호환되지 않습니다. |
| 주요 응용 | 진단 검사 제조혈액학조직학 |
| InChI | 1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3 |
| InChIKey | JNRLEMMIVRBKJE-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(Cc2ccc(cc2)N(C)C)cc1 |
| NIST | Benzenamine, 4,4'-methylenebis[N,N-dimethyl-(101-61-1) |
| EPA | 4,4'-Methylenebis[N,N-dimethylaniline] (101-61-1) |
화학적 성질
yellow to tan crystals
안전 및 규제
| GHS 분류 | DangerH350 (100%): May cause cancer [Danger Carcinogenicity]P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H350: May cause cancer [Danger Carcinogenicity] |
|---|---|
| 규제 정보 | Chemical: Benzenamine, 4,4'-methylenebis[N,N-dimethyl-Hazard Traits - CarcinogenicitySubstance: N,N,N',N'-tetramethyl-4,4'-methylenedianiline (Michlerâs base)4,4'-Methylenebis(N,N-dimethylbenzenamine): Does not have an individual approval but may be used under an appropriate group standardThe 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.) |
| 기타 안전 정보 | IMAP assessments - Benzenamine, 4,4'-methylenebis[N,N-dimethyl-: Environment tier I assessment |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 화재 가능성 | Flammable liquid |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and respiratory tractrespiratory distress, kidney damage and liver damage, reproductive effects and birth defects. |
| 유해성 요약 | A skin, eye, and respiratory tract irritantHarmful by inhalation, ingestion, and skin absorptionCan cause injury to the liver, kidneys, lungs, and reproductive system[CAMEO] An irritantMay induce methemoglobinemia[MSDSonline] |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Special Reports | U.S. Department of Health & Human Services/National Toxicology ProgramTwelfth Report on Carcinogens (2011). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. 4,4'-Methylenebis(N,N-dimethyl)-benzenamine (101-61-1) is listed as reasonably anticipated to be a human carcinogen. First listed in the Third Annual Report on Carcinogens (1983).[Available from, as of March 1, 2012: http://ntp.niehs.nih.gov/?objectid=03C9AF75-E1BF-FF40-DBA9EC0928DF8B15] |
용도
용도
4,4'-Methylenebis(N,N-dimethylaniline)is used as a chemical intermediate in the manufacture of dyes and for its hydrochloric salt and is also used as an analytical reagent in the determination of lead.
일반 설명
Yellowish glistening leaflets or plates or tan crystals. Weak odor. Sublimes without decomposition.