Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3,4-디아미노톨루엔
3,4-다이아미노톨루엔 · 3,4-디아미노톨루엔 · 톨루엔-3,4-디아민 · 톨루엔-3,4-다이아민 · 톨루엔-3,4-다이아민및그염류,염모제로사용될때 · 톨루엔-3,4-다이아민및그염류 · 1,2-다이아미노-4-메틸벤젠 · 1,2-벤젠다이아민, 4-메틸-

식별자 및 물리적 특성
| CAS No. | 496-72-0 |
|---|---|
| 분자식 | C7H10N2 |
| 평균 분자량 | 122.17 g/mol |
| 단동위원소 질량 | 122.08439832 g/mol |
| SMILES | Cc1ccc(N)c(N)c1 |
| InChIKey | DGRGLKZMKWPMOH-UHFFFAOYSA-N |
| PubChem CID | 10332 |
| ChEMBL | CHEMBL1319452 |
| EC No. | 105-428-2 |
| DTXSID | DTXSID9024930 |
| 현지명 | 3,4-디아미노톨루엔 |
화학 및 물리적 성질
| XLogP | 0.6 |
|---|---|
| 극성 표면적 | 52 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 92.9 |
| 물질 분류 | Nitrogen Compounds -> Amines, Aromatic |
| 화장품 | Cosmetic ingredients (Toluene-3,4-Diamine) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
| LogP(분배 계수) | 0.66 |
| Color/Form | LEAFLETS FROM PETROLEUM ETHER |
| 용해도 | less than 1 mg/mL at 63 °F (NTP, 1992)VERY SOL IN WATER클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 끓는 점 | 509 °F at 760 mmHg (Sublimes) (NTP, 1992)265 °C (sublimes)155-156 °C/18 mmHg (lit.) |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen oxides/. |
| 녹는점 | 192 to 194 °F (NTP, 1992)80-90 °C87-89 °C (lit.) |
| Physical Description | 3,4-diaminotoluene appears as a colorless to brownish purple crystalline solid. Toxic by ingestion and inhalation and an irritant to skin and eyes. Soluble in water, alcohol and ether. Decomposes to emit toxic oxides of nitrogen when heated to high temperature. Used in making dyes.Other SolidCBILiquid[HSDB] Colorless to brownish-purple solid[CAMEO] |
| 밀도 | 1.2207 (rough estimate) |
| 굴절률 | 1.5103 (estimate) |
| 인화점 | 155-156°C/18mm |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | 4.59±0.10(Predicted) |
| 물리적 상태 | 결정질 덩어리 또는 조각 |
| 색상 | 갈색~회갈색 |
| 용해도 | 16g/L(20℃) |
| BRN | 507965 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 화장품 원료 기능 | 머리 염색 |
| InChI | 1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 |
| InChIKey | DGRGLKZMKWPMOH-UHFFFAOYSA-N |
| SMILES | Cc1ccc(N)c(N)c1 |
| NIST | 1,2-Benzenediamine, 4-methyl-(496-72-0) |
| EPA | 3,4-Diaminotoluene (496-72-0) |
화학적 성질
Off-white small blocks
안전 및 규제
| GHS 분류 | DangerH301 (79.1%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 287 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| 규제 정보 | Chemical: 1,2-Benzenediamine, 4-methyl-1,2-Benzenediamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenediamine, 4-methyl- 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: Cease Manufacture Update: 15-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/241394-Methyl-1,2-phenylenediamine: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Ortho-toluenediamines: Human health tier II assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include skin and eye irritation. |
| 유해성 요약 | External application to rabbit eyes scored 7 on a scale of 1-10 (10 being most severe) for degree of injury (2,3/3,4 mixture)Emergency treatment: Methemoglobinemia[HSDB] A skin and eye irritant[CAMEO] An irritantHarmful by ingestion, inhalation, or skin absorption[Aldrich MSDS] See 2,4-Diaminotoluene. |
| 반응성 그룹 | Amines, Aromatic |
| Special Reports | REVIEW: UNITED STATES EPAPHENYLENEDIAMINES |
용도
용도
5-Methylbenzotriazole intermediate.
일반 설명
A colorless to brownish purple crystalline solid. Toxic by ingestion and inhalation and an irritant to skin and eyes. Soluble in water, alcohol and ether. Decomposes to emit toxic oxides of nitrogen when heated to high temperature. Used in making dyes.