Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-(2-히드록시-5-메틸페닐)벤조트리아졸
2-(2'-하이드록시-5'-메틸페닐)벤조트리아암모니아 · 2-(2'-히드록시-5'-메틸페닐)벤조트리아암모니아 · 2-(2-히드록시-5-메틸페닐)벤조트리아졸 · 2-(2H-벤조트라이아졸-2-일)-4-메틸페놀 · 2-2(-하이드록시-5-메틸페닐벤조트라이아졸 · 드로메트리졸 · 2-(2'-하이드록시-5'-메틸페닐)벤조트리아암모니아(2-(2'-HYDROXY-5'-METHYLPHENYL)B... · 페놀, 2-(2H-벤조트라이아졸-2-일)-4-메틸-
식별자 및 물리적 특성
| CAS No. | 2440-22-4 |
|---|---|
| 분자식 | C13H11N3O |
| 평균 분자량 | 225.25 g/mol |
| 단동위원소 질량 | 225.09021198 g/mol |
| SMILES | Cc1ccc(O)c(-n2nc3ccccc3n2)c1 |
| InChIKey | MCPKSFINULVDNX-UHFFFAOYSA-N |
| PubChem CID | 17113 |
| ChEMBL | CHEMBL1564747 |
| ChEBI | CHEBI:134926 |
| EC No. | 219-470-5 |
| DTXSID | DTXSID1027479 |
| 현지명 | 2-(2-히드록시-5-메틸페닐)벤조트리아졸 |
화학 및 물리적 성질
| XLogP | 4.3 |
|---|---|
| 극성 표면적 | 50.9 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 259 |
| Physical Description | Dry PowderOther SolidLarge Crystals |
| Collision Cross Section | 155.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID1027479] |
| 녹는점 | 125.5-129.5 °C(lit.) |
| 끓는 점 | bp10 225° |
| 밀도 | 1.38 |
| 증기압 | 0Pa at 20℃ |
| 굴절률 | 1.5600 (estimate) |
| 인화점 | 54°C |
| 저장 조건 | 15-25°C |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 8.15±0.43(Predicted) |
| 색상 | 황백색에서 연한 노란색 |
| 용해도 | 173μg/L at 20℃ |
| Merck | 14,3447 |
| 안정성 | 흡습성 |
| 화장품 원료 기능 | 자외선 흡수제 |
| InChI | 1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3 |
| InChIKey | MCPKSFINULVDNX-UHFFFAOYSA-N |
| SMILES | Cc1ccc(O)c(c1)-n2nc3ccccc3n2 |
| LogP(분배 계수) | 4.2 at 25℃ |
| NIST | Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-(2440-22-4) |
| EPA | 2-(2H-Benzotriazol-2-yl)-p-cresol (2440-22-4) |
화학적 성질
Light yellow powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 0.8% (7 of 885) of reports.WarningH317 (97.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H410 (47%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H413 (46%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 885 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 885 reports by companies.There are 18 notifications provided by 878 of 885 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-(2H-benzotriazol-2-yl)-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: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13300Drometrizole: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Phenolic benzotriazoles: Environment tier II assessment |
| Hazard Classes and Categories | Skin Sens. 1 (97.1%)Aquatic Chronic 1 (47%)Aquatic Chronic 4 (46%)Skin sensitization - Category 1BSpecific target organ toxicity - Single exposure - Category 1 (respiratory organs)Specific target organ toxicity - Repeated exposure - Category 2 (kidney)Hazardous to the aquatic environment (Long-term) - Category 1 |
| 독성 요약 | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| 수질 위해 등급(WGK) | 1 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | GO6860000 |
| 독성 | LD50 oral in mouse: 6500mg/kg |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 36/37/38-53-43 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25-36/37 |
| 기존화학 물질 | KE-02741 |
| 위험 등급 | Aquatic Chronic 1Skin Sens. 1B |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Drometrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.