Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-Bromo-2-hydroxybenzyl alcohol
BROMOSALIGENIN · 5-BROMOSALIGENIN · RARECHEM AL BD 0040 · 5-BROMOSALICYL ALCOHOL · 2-HYDROXYMETHYL-4-BROMOPHENOL · 4-BROMO-2-HYDROXYMETHYLPHENOL · 5-BROMO-2-HYDROXYBENZYL ALCOHOL · 5-Bromo-2-hydroxybenzenemethanol
식별자 및 물리적 특성
| CAS No. | 2316-64-5 |
|---|---|
| 분자식 | C7H7BrO2 |
| 평균 분자량 | 203.03 g/mol |
| 단동위원소 질량 | 201.96294 g/mol |
| SMILES | OCc1cc(Br)ccc1O |
| InChIKey | KNKRHSVKIORZQB-UHFFFAOYSA-N |
| PubChem CID | 75342 |
| EC No. | 219-026-0 |
| DTXSID | DTXSID30177739 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 108 |
| 녹는점 | 110-112 °C (lit.) |
| 끓는 점 | 281.8±10.0 °C(Predicted) |
| 밀도 | 1.5178 (rough estimate) |
| 굴절률 | 1.4620 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 물: 25°C에서 용해성0.7%(lit.) |
| 물리적 상태 | 결정질 분말 또는 플레이크 |
| pKa(산도 계수) | 9.36±0.18(Predicted) |
| 색상 | 흰색에서 밝은 갈색까지 |
| 용해도 | water: soluble 0.7% at25°C(lit.)olive oil: soluble 4.8%(lit.)alcohol: freely soluble(lit.)benzene: moderately soluble(lit.)chloroform: moderately soluble(lit.)diethyl ether: freely soluble(lit.)ethyl acetate: freely soluble(lit.)hot water: soluble(lit.) |
| BRN | 509726 |
| InChI | 1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2 |
| InChIKey | KNKRHSVKIORZQB-UHFFFAOYSA-N |
| SMILES | OCc1cc(Br)ccc1O |
화학적 성질
white to light brown crystalline powder or flakes
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29081990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39-24/25 |
| 위험 등급 | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
5-Bromo-2-hydroxybenzyl alcohol was used in the synthesis of:7-bromo-2,3-diphenyl-5H-imidazo[2,1-b][1,3]benzoxazine6-bromo-2-octyl-4H-1,3,2-benzodioxaphosphorin 2-oxide4-bromo-2-(5-iodo-1H-indol-3-ylmethyl)- phenol