Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
플로로페놀
플로로페놀 · 2-플루오로페놀 · O-FLUOROPHENOL · 1-Bromo-3-fluorobezene · uorophenoL · 2-Florophenol · 2-Flurophenol · o-fluoro-pheno
식별자 및 물리적 특성
| CAS No. | 367-12-4 |
|---|---|
| 분자식 | C6H5FO |
| 평균 분자량 | 112.1 g/mol |
| 단동위원소 질량 | 112.032443 g/mol |
| SMILES | Oc1ccccc1F |
| InChIKey | HFHFGHLXUCOHLN-UHFFFAOYSA-N |
| PubChem CID | 9707 |
| ChEMBL | CHEMBL224144 |
| EC No. | 206-681-2 |
| DTXSID | DTXSID0047745 |
| 현지명 | 플로로페놀 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 74.9 |
| 물질 분류 | Other Classes -> Phenols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP(분배 계수) | 1.71 |
| 끓는 점 | 304 to 306 °F at 760 mmHg (NTP, 1992)171-172 °C/741 mmHg (lit.) |
| 녹는점 | 61 °F (NTP, 1992)16.1 °C (lit.) |
| 증기압 | 1.19 [mmHg] |
| Physical Description | 2-fluorophenol appears as liquid or crystalline solid melting at 14-16 °C. Corrosive. Density 1.246 g / cm3.Liquid or solidmp = 14-16 deg C[CAMEO] Colorless liquid[MSDSonline] |
| 밀도 | 1.256 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.511(lit.) |
| 인화점 | 116 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 용해도 | 37.7g/L |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 8.73(at 25℃) |
| 비중 | 1.256 |
| 색상 | 투명한 무색~연한 황갈색을 띤다. |
| 용해도 | 80.72g/L(25℃) |
| BRN | 1905112 |
| 헨리 상수 | 3.1×100 mol/(m3Pa) at 25℃, Abraham et al. (1994) |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| InChI | 1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H |
| InChIKey | HFHFGHLXUCOHLN-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1F |
| NIST | Phenol, 2-fluoro-(367-12-4) |
| EPA | o-Fluorophenol (367-12-4) |
화학적 성질
Clear colourless to yellow liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.DangerH226 (96.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 30 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Phenol, 2-fluoro-2-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Combustible Liquid |
| 화재 위험 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| 건강 유해성 | ACUTE/CHRONIC HAZARDS: Toxic and irritant. (NTP, 1992) |
| 유해성 요약 | An irritant[CAMEO] A skin and eye irritant[eChemPortal: ERMA] An irritant[MSDSonline] |
| 반응성 그룹 | Phenols and Cresols |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 2-FLUOROPHENOL reacts as a weak organic acid. May be incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction with bases. Such heating may initiate polymerization of the organic compound. Sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Nitrated very rapidly, even by dilute nitric acid. |
| Air and Water Reactions | Highly flammable. |
| Hazard Classes and Categories | Flam. Liq. 3 (96.7%) |
| 소화 |
용도
일반 설명
Liquid or crystalline solid melting at 14-16°C. Corrosive. Density 1.246 g / cm3.