Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
벤조페논-7
벤조페논-7 · 5-클로로-2-하이드록시벤조페논 · benzophenone-7 · (5-CHLORO-2-HYDROXYPHENYL)(PHENYL)METHANONE · dowhcb · uvabsorbernl/5 · 2-benzoyl-4-chlorophenol · chlorohydroxybenzophenone

식별자 및 물리적 특성
| CAS No. | 85-19-8 |
|---|---|
| 분자식 | C13H9ClO2 |
| 평균 분자량 | 232.66 g/mol |
| 단동위원소 질량 | 232.0291072 g/mol |
| SMILES | O=C(c1ccccc1)c1cc(Cl)ccc1O |
| InChIKey | OMWSZDODENFLSV-UHFFFAOYSA-N |
| PubChem CID | 6799 |
| ChEMBL | CHEMBL3184892 |
| EC No. | 201-592-5 |
| DTXSID | DTXSID8047894 |
| 현지명 | 벤조페논-7 |
화학 및 물리적 성질
| XLogP | 3.9 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 248 |
| 냄새 | Nearly odorless |
| Color/Form | Yellow crystalsYellow powder |
| 용해도 | Insoluble in waterPractically insoluble in waterSoluble in alcohol, ethyl acetate, methyl ethyl ketone클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 녹는점 | 95.3 °CMP: 96-98 °C (205-208 °F)96-98 °C(lit.) |
| Physical Description | Yellow solid[HSDB] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| 끓는 점 | 147-149 °C(Press: 0.3 Torr) |
| 밀도 | 1.307±0.06 g/cm3(Predicted) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 7.49±0.43(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 연한 노란색에서 갈색까지 |
| 화장품 원료 기능 | 자외선 흡수제 |
| InChI | 1S/C13H9ClO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H |
| InChIKey | OMWSZDODENFLSV-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cl)cc1C(=O)c2ccccc2 |
| LogP(분배 계수) | 4.620 (est) |
| NIST | 5-Chloro-2-hydroxybenzophenone(85-19-8) |
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 6 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 | Status: Active Update: 20-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/170785-Chloro-2-hydroxybenzophenone: 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. |
| 유해성 요약 | An irritant[MSDSonline] See Benzophenone. |
| Other Hazardous Reactions | Incompatible materials: Strong oxidizing agents |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
| Firefighting Hazards | Special hazards arising from the substance or mixture: Carbon oxides, hydrogen chloride gas. |
| 소화 절차 | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary. |
| 보관 조건 | Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place. |
| 정리 방법 |
제조 및 합성 방법
제조 방법
Preparation by Fries rearrangement of p-chlorophenyl benzoate with aluminium chloride, without solvent, at 180° for 10 min (85%), at 155–157° for 2 h (90%), at 130– 140° for 1 h (72%) or at 100–150° for 0.5–3 h (68%) ; in refluxing chlorobenzene for 4 h (14%).