Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-Bromobenzyl alcohol
(3-Bromophenyl)methanol · RARECHEM AL BD 0052 · M-BROMOBENZYL ALCOHOL · 3-BROMOBENZYL ALCOHOL · 3-Bromobenzenemethanol · 3-Bromobenzyl alcohol 98% · Benzenemethanol, 3-bromo- · 3-Bromobenzyl alcohol,99%
식별자 및 물리적 특성
| CAS No. | 15852-73-0 |
|---|---|
| 분자식 | C7H7BrO |
| 평균 분자량 | 187.03 g/mol |
| 단동위원소 질량 | 185.96803 g/mol |
| SMILES | OCc1cccc(Br)c1 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| PubChem CID | 85141 |
| ChEMBL | CHEMBL2323842 |
| EC No. | 239-975-4 |
| DTXSID | DTXSID70166440 |
화학 및 물리적 성질
| XLogP | 2 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 85 |
| 녹는점 | 110-112 |
| 끓는 점 | 165 °C16 mm Hg(lit.) |
| 밀도 | 1.56 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.584(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 물에 약간 용해됨 |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 14.28±0.10(Predicted) |
| 색상 | Colorless to Light yellow to Light orange |
| 비중 | 1.560 |
| BRN | 2242512 |
| InChI | InChI=1S/C7H7BrO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | FSWNRRSWFBXQCL-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=CC(Br)=C1 |
| NIST | 3-Bromobenzyl alcohol(15852-73-0) |
화학적 성질
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.There are 4 notifications provided by 4 of 5 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 | Benzenemethanol, 3-bromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (20%)Skin Irrit. 2 (60%)Eye Irrit. 2A (60%)STOT SE 3 (60%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29062900 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25 |
| 위험 참고 사항 | Irritant |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
3-Bromobenzyl alcohol was employed in the preparation of tert-butyl 3-(3-bromophenyl)-2-cyanopropanoate and silyl ether.