N,N-디메틸-P-톨루이딘
N,N-다이메틸-P-톨루이딘 · N,N-디메틸-P-톨루이딘 · 다이메틸톨릴아민 · 1-(다이메틸아미노)-4-메틸벤젠 · N,N,4-트라이메틸아닐린 · N,N,4-트리메틸아닐린 · N,N-다이메틸톨루이딘 · p,N,N-트라이메틸아닐린
식별자 및 물리적 특성
| CAS No. | 99-97-8 |
|---|---|
| 분자식 | C9H13N |
| 평균 분자량 | 135.21 g/mol |
| 단동위원소 질량 | 135.10479942 g/mol |
| SMILES | Cc1ccc(N(C)C)cc1 |
| InChIKey | GYVGXEWAOAAJEU-UHFFFAOYSA-N |
| PubChem CID | 7471 |
| ChEMBL | CHEMBL1462714 |
| EC No. | 202-805-4 |
| DTXSID | DTXSID0021832 |
| 현지명 | N,N-디메틸-P-톨루이딘 |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 3.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 90.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| 화장품 | Cosmetics ingredient -> Other (Specify)Solvent |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | log Kow = 2.812.612.85 |
| 냄새 | Aromatic |
| 밀도 | 0.9366 g/cu cm at 20 °CRelative density (water = 1): 0.90.937 g/mL at 25 °C(lit.) |
| Color/Form | Clear colorless liquidColorless to brown oil |
| 용해도 | In water, 455 mg/LIn water, 650 mg/L at 37 °CMiscible with ethanol, ethyl ethersoluble in carbon tetrachlorideSolubility in water, g/l at 37 °C: 0.65 (very slightly soluble)0.65g/L |
| 인화점 | 76 °C (closed cup)83 °C182 °F |
| 끓는 점 | 211 °C215 °C211 °C(lit.) |
| Decomposition | When heated to decomposition ir emits toxic vapors of NOx |
| 증기 밀도 | Relative vapor density (air = 1): 4.7>1 (vs air) |
| 녹는점 | -25°C |
| 증기압 | 0.1 hPa (20 °C) |
| 굴절률 | n20/D 1.546(lit.) |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | pK1:7.24(+1) (25°C) |
| 색상 | 맑은 노란색 |
| 폭발한계 | 7% |
| 용해도 | 알코올, 에테르, 클로로포름과 섞임. 물과 섞이지 않습니다. |
| BRN | 774409 |
| 헨리 상수 | 2.0×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 3.3(20℃) |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 네일 스컬핑 |
| InChI | 1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3 |
| InChIKey | GYVGXEWAOAAJEU-UHFFFAOYSA-N |
| SMILES | CN(C)c1ccc(C)cc1 |
| LogP(분배 계수) | 1.729-2.81 at 35℃ |
| EPA | N,N,4-Trimethylaniline (99-97-8) |
화학적 성질
light yellow liquid
안전 및 규제
| GHS 분류 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P270, P271, P273, P280, P301+P316, P304+P340, P317, P318, P319, P321, P330, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 0.2% (1 of 563) of reports.H301+H311+H331 (21.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation] |
|---|---|
| 규제 정보 | Chemical: Benzenamine, N,N,4-trimethyl-Hazard Traits - CarcinogenicityBenzenamine, N,N,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenamine, N,N,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/8746Dimethyl-p-toluidine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Benzenamine, N,N,4-trimethyl-: Human health tier II assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:Combustible. Above 83 °C explosive vapour/air mixtures may be formed. |
| 건강 유해성 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 유해성 요약 | Can induce methemoglobinemia[ICSC] See Carcinogenicity of some industrial chemicals, Volume 115. [IARC, News Release, 23 February 2016] |
| 반응성 그룹 | Amines, Aromatic |
| EC 분류 | H301H311H331H373H412 |
| UN 분류 | UN Hazard Class: 6.1 |
| Reactivity Profile |
용도
용도
N,N-Dimethyl-p-toluidine is used as a polymerization catalyst for polyesters, acrylate and epoxy resins. It is also used as a hardener for dental cements and in adhesives. It serves as an intermediate for photographic chemicals, in industrial glues, in artificial fingernail preparations, colorants, pharmaceuticals. It reacts with vinyl ether in the presence of copper(II) chloride gives tetrahydroquinolines. Further, it is used to accelerate polymerization of ethyl methacrylate.
일반 설명
A clear colorless liquid with an aromatic odor. Density 0.937 g / cm3 (Lancaster) and insoluble in water. Hence floats on water. Toxic by skin absorption and inhalation. Flash point 181°F. May release toxic vapors when burned.