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1-[(2-히드록시에틸)아미노]-4-(메틸아미노)안트라퀴논
1-[(2-히드록시에틸)아미노]-4-(메틸아미노)안트라퀴논 · 9,10-Anthracenedione, 1-(2-hydroxyethyl)amino-4-(methylamino)-
![1-[(2-히드록시에틸)아미노]-4-(메틸아미노)안트라퀴논 분자 구조식](/img/chemical/17191.png)
식별자 및 물리적 특성
| CAS No. | 2475-46-9 |
|---|---|
| 분자식 | C17H16N2O3 |
| 평균 분자량 | 296.32 g/mol |
| 단동위원소 질량 | 296.11609237 g/mol |
| SMILES | CNc1ccc(NCCO)c2c1C(=O)c1ccccc1C2=O |
| InChIKey | NLXFWUZKOOWWFD-UHFFFAOYSA-N |
| PubChem CID | 17191 |
| EC No. | 219-604-2 |
| DTXSID | DTXSID301015819 |
| 현지명 | 1-[(2-히드록시에틸)아미노]-4-(메틸아미노)안트라퀴논 |
화학 및 물리적 성질
| XLogP | 3.3 |
|---|---|
| 극성 표면적 | 78.4 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 440 |
| 물질 분류 | Dyes -> Anthraquinone Dyes |
| 화장품 | Hair dyeing |
| LogP(분배 계수) | 1.94 |
| Physical Description | Grey-black powder[MSDSonline] |
| 녹는점 | 190 °C |
| 끓는 점 | 593.5±50.0 °C(Predicted) |
| 밀도 | 1.397±0.06 g/cm3(Predicted) |
| pKa(산도 계수) | 14.62±0.10(Predicted) |
| EPA | 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)- (86722-66-9) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.WarningH302 (78.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)-Chemical: C. I. Disperse Blue 3C.I. Disperse Blue 3: Does not have an individual approval but may be used under an appropriate group standard9,10-Anthracenedione, 1-(2-hydroxyethyl)amino-4-(methylamino)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 기타 안전 정보 | IMAP assessments - Anthraquinone-based dyes with limited data availability: Human health tier II assessmentIMAP assessments - 9,10-Anthracenedione, 1-[(2-hydroxyethyl)amino]-4-(methylamino)-: Environment tier I assessment |
| 유해성 요약 | An irritantAnthraquinones are toxic by ingestion: vomiting, diarrhea, kidney and liver damage, and comaDeaths have been reported after children ingested Rhamnus berries[HSDB] A mild eye irritantMay cause skin sensitization[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 4 (78.8%)Skin Sens. 1 (100%) |
| 처리 방법 | NATURAL SODIUM- AND CALCIUM-VERMICULITE, A VERMICULITE PREPARED BY HEATING TO 550 DEG & TREATING BY 10% SULFURIC ACID, & A VERMICULITE TREATED WITH 1 N SODIUM CHLORIDE WERE USED TO ABSORB DISPERSE BLUE K PRESENT IN WASTEWATERS IN CONCN 5.6-26.9 MG/L. |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
용도
용도
Nonoxidative coloring agent for semipermanent coloring of keratin fibers such as hair and wool.