Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
폴로르벤질(2-)알코올
폴로르벤질(2-)알코올 · 2-플루오로벤질 알코올 · O-FLUOROBENZYL ALCOHOL · (2-FLUOROPHENYL)METHANOL · 2-fluorobenzyl · 2-fluorobenzylol · RARECHEM AL BD 0016 · 2-Fluorobenzyl alcoh
식별자 및 물리적 특성
| CAS No. | 446-51-5 |
|---|---|
| 분자식 | C7H7FO |
| 평균 분자량 | 126.13 g/mol |
| 단동위원소 질량 | 126.04809301 g/mol |
| SMILES | OCc1ccccc1F |
| InChIKey | QEHXDOJPVIHUDO-UHFFFAOYSA-N |
| PubChem CID | 67969 |
| EC No. | 207-170-7 |
| DTXSID | DTXSID10196241 |
| 현지명 | 폴로르벤질(2-)알코올 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 85 |
| 녹는점 | 91-94 °C |
| 끓는 점 | 199-200 °C |
| 밀도 | 1.173 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.514(lit.) |
| 인화점 | 195 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 13.88±0.10(Predicted) |
| 물리적 상태 | 액체 |
| 비중 | 1.173 |
| 색상 | 무색투명~미황색 |
| BRN | 2079486 |
| InChI | 1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2 |
| InChIKey | QEHXDOJPVIHUDO-UHFFFAOYSA-N |
| SMILES | OCc1ccccc1F |
| NIST | 2-Fluorobenzyl alcohol(446-51-5) |
화학적 성질
clear colorless to slightly yellow liquid
안전 및 규제
| GHS 분류 | WarningH227 (25%): Combustible liquid [Warning Flammable liquids]H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 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. |
|---|---|
| 규제 정보 | Benzenemethanol, 2-fluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 4 (25%)Acute Tox. 4 (25%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (75%) |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29062900 |
| 위험 문구(R) | 14-34-36/37 |
| 위험 표시 | Xi,C |
| 안전 문구(S) | 23-24/25-45-36/37/39-27-26 |
| 위험 등급 | IRRITANT |
| F 고인화성물질 | 10 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-Fluorobenzyl alcohol was used in Nafion-H catalyzed preparation of diphenylmethyl ethers of alcohols.
일반 설명
2-Fluorobenzyl alcohol undergoes oxidation using graphite oxide under ultrasonic irradiation to yield 2-fluorobenzaldehyde.