Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-아미노-6-클로로-o-크레솔
5-아미노-6-클로로-o-크레솔 · 3-아미노-2-클로로-6-메틸페놀 · 5-AMINO-6-CHLORO-O-CRESOL · 6-chloro-5-amino-o-cresol · CAOC · 5-AMINO-6-CHLORO-2-METHYLPHENOL · 2-METHYL-5-AMINO-6-CHLOROPHENOL · 3-AMINO-2-CHLORO-6-METHYLPHENOL
식별자 및 물리적 특성
| CAS No. | 84540-50-1 |
|---|---|
| 분자식 | C7H8ClNO |
| 평균 분자량 | 157.6 g/mol |
| 단동위원소 질량 | 157.02944156 g/mol |
| SMILES | Cc1ccc(N)c(Cl)c1O |
| InChIKey | XYRDGCCCBJITBH-UHFFFAOYSA-N |
| PubChem CID | 157641 |
| EC No. | 283-144-9 |
| DTXSID | DTXSID80233531 |
| 현지명 | 5-아미노-6-클로로-o-크레솔 |
화학 및 물리적 성질
| XLogP | 1.9 |
|---|---|
| 극성 표면적 | 46.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 120 |
| 화장품 | Cosmetic ingredients (5-Amino-6-Chloro-o-Cresol) -> CIR (Cosmetic Ingredient Review)AntimicrobialHair dyeing |
| 녹는점 | 80-83°C |
| 끓는 점 | 262.7±35.0 °C(Predicted) |
| 밀도 | 1.331±0.06 g/cm3(Predicted) |
| 증기압 | 0.061-2.2Pa at 20-50℃ |
| 저장 조건 | 2-8°C |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 8.89±0.15(Predicted) |
| 색상 | White to Orange to Green |
| 화장품 원료 기능 | 항균색소머리 염색 |
| InChI | InChI=1S/C7H8ClNO/c1-4-2-3-5(9)6(8)7(4)10/h2-3,10H,9H2,1H3 |
| InChIKey | XYRDGCCCBJITBH-UHFFFAOYSA-N |
| SMILES | C1(O)=C(C)C=CC(N)=C1Cl |
| LogP(분배 계수) | 1.644 at 23℃ and pH7.27 |
| 표면장력 | 63.1mN/m at 1g/L and 21℃ |
화학적 성질
Off white to light brown crystal powder
안전 및 규제
| GHS 분류 | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 05-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21096Phenol, 3-amino-2-chloro-6-methyl-: 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. |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| 독성 요약 | <p>The Expert Panel for Cosmetic Ingredient Safety concluded that 5-Amino-6-Chloro-o-Cresol is safe for use as a hair dye ingredient in the present practices of use and concentration described in this safety assessment.</p>Safe for use in cosmetics, with qualifications |
| 관세 코드 | 2922290090 |
| 위험 문구(R) | 22-36 |
| 위험 표시 | Xi,Xn |
| 위험 참고 사항 | Irritant |