Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1-Naphthalenemethanol
NaphthaleneMethanol · 1-menaphthylalcohol · FC7H · 1-NaphthaL · enemethanoL · 1-Naphtylmethanol · 1-Naphthylmethanol · 1-Naphthylcarbinol
식별자 및 물리적 특성
| CAS No. | 4780-79-4 |
|---|---|
| 분자식 | C11H10O |
| 평균 분자량 | 158.2 g/mol |
| 단동위원소 질량 | 158.07316494 g/mol |
| SMILES | OCc1cccc2ccccc12 |
| InChIKey | PBLNHHSDYFYZNC-UHFFFAOYSA-N |
| PubChem CID | 20908 |
| ChEMBL | CHEMBL1288 |
| ChEBI | CHEBI:38137 |
| EC No. | 225-324-1 |
| DTXSID | DTXSID30197295 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 144 |
| 의약품 | Pharmaceuticals -> Metabolite of Terbinafine |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| 농약 | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP(분배 계수) | 2.37 |
| 녹는점 | 61-63 °C (lit.) |
| 끓는 점 | 301 °C/715 mmHg (lit.) |
| 밀도 | 1.1039 |
| 굴절률 | 1.5440 (estimate) |
| 인화점 | 301°C/715mm |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 메탄올에 용해됨 |
| pKa(산도 계수) | 14.22±0.10(Predicted) |
| 물리적 상태 | 미세 결정성 분말 |
| 색상 | 노란색 |
| BRN | 2042532 |
| InChI | InChI=1S/C11H10O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8H2 |
| InChIKey | PBLNHHSDYFYZNC-UHFFFAOYSA-N |
| SMILES | C1(CO)=C2C(C=CC=C2)=CC=C1 |
| NIST | 1-Naphthalenemethanol(4780-79-4) |
화학적 성질
yellowish fine crystalline powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | 1-Naphthalenemethanol: 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 | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | QJ8880000 |
| 관세 코드 | 29062990 |
| 안전 문구(S) | 24/25 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
1-Naphthalenemethanol was used to investigate UV photooxidation of 1-methylnaphthalene in the presence of dry or humid air.
일반 설명
3′-Phosphoadenylyl sulfate dependent sulfation of 1-naphthalenemethanol catalyzed by isoenzyme of arylsulfotransferase has been studied. 1-Naphthalenemethanol is an intermediate photolysis product of 1-napthaleneacetic acid.