Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
에치씨황색2호
에치씨황색2호 · HC YELLOW 2 · HC YELLOW NO 2 · hc-yelow 2 · JAROCOL YELLOW 2 · 2-Nitro-N-hydroxyeth · Nitroanilino)Ethanol · Adrenaline Impurity 103
식별자 및 물리적 특성
| CAS No. | 4926-55-0 |
|---|---|
| 분자식 | C8H10N2O3 |
| 평균 분자량 | 182.18 g/mol |
| 단동위원소 질량 | 182.06914218 g/mol |
| SMILES | O=[N+]([O-])c1ccccc1NCCO |
| InChIKey | LFOUYKNCQNVIGI-UHFFFAOYSA-N |
| PubChem CID | 78637 |
| EC No. | 225-555-8 |
| DTXSID | DTXSID0063650 |
| 현지명 | 에치씨황색2호 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 78.1 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 169 |
| 화장품 | Cosmetic ingredients (HC Yellow No. 2) -> CIR (Cosmetic Ingredient Review)Hair dyeing |
| 녹는점 | 71-73°C |
| 끓는 점 | 376.6±22.0 °C(Predicted) |
| 밀도 | 1.352±0.06 g/cm3(Predicted) |
| 증기압 | 0Pa at 20℃ |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 14.60±0.10(Predicted) |
| 색상 | 진한 주황색에서 빨간색까지 |
| 용해도 | 1.85g/L at 20℃ |
| 화장품 원료 기능 | 머리 염색 |
| InChI | InChI=1S/C8H10N2O3/c11-6-5-9-7-3-1-2-4-8(7)10(12)13/h1-4,9,11H,5-6H2 |
| InChIKey | LFOUYKNCQNVIGI-UHFFFAOYSA-N |
| SMILES | C(O)CNC1=CC=CC=C1[N+]([O-])=O |
| LogP(분배 계수) | 1.5 at 20℃ |
| EPA | Ethanol, 2-[(2-nitrophenyl)amino]- (4926-55-0) |
화학적 성질
Orange crystal powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.2% (1 of 83) of reports.WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 83 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Ethanol, 2-[(2-nitrophenyl)amino]-REACH registered substance: 2-[(2-nitrophenyl)amino]ethanol (EC: 225-555-8)Ethanol, 2-[(2-nitrophenyl)amino]-: 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 - Ethanol, 2-[(2-nitrophenyl)amino]-: Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Acute toxicity (ingestion) - category 4 |
| 독성 요약 | The CIR Expert Panel concludes that HC Yellow No. 2 is safe for use in hair dyes at concentrations up to 3%. The limitation on the concentration is based upon the available clinical sensitization data.Safe for use in cosmetics, with qualifications |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2922290090 |
| 위험 표시 | Xi |
| 위험 참고 사항 | Irritant |
용도
용도
2-(2-Nitroanilino)ethanol is used in the preparation of (phenylamino)quinoxalinone derivatives which has been identified as a new class of glycogen phosphorylase inhibitors.