2'-Hydroxybenzophenone
Hydroxybenzophenone · 2-BENZOYLPHENOL · O-BENZOYLPHENOL · 2-Chloro-4’4-Chloro-4’3-Chloro-4’4-Hydroxy-4’-methoxybenzophenone · 2-HYDROXYBENZOPHENONE · O-HYDROXYBENZOPHENONE
식별자 및 물리적 특성
| CAS No. | 117-99-7 |
|---|---|
| 분자식 | C13H10O2 |
| 평균 분자량 | 198.22 g/mol |
| 단동위원소 질량 | 198.06807956 g/mol |
| SMILES | O=C(c1ccccc1)c1ccccc1O |
| InChIKey | HJIAMFHSAAEUKR-UHFFFAOYSA-N |
| PubChem CID | 8348 |
| ChEMBL | CHEMBL24743 |
| EC No. | 204-226-2 |
| DTXSID | DTXSID5047879 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 219 |
| 증기압 | 0.00001 [mmHg] |
| Physical Description | Powdermp = 37-39 deg C[Alfa Aesar MSDS] |
| Collision Cross Section | 143.4 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID5047879] |
| 녹는점 | 37-39 °C (lit.) |
| 끓는 점 | 171-173 °C/12 mmHg (lit.) |
| 밀도 | 1.1184 (rough estimate) |
| 굴절률 | 1.5954 (estimate) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,2-8°C |
| pKa(산도 계수) | 8.07±0.30(Predicted) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 노란색 |
| 용해도 | 불용성 |
| BRN | 1638174 |
| InChI | InChI=1S/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14H |
| InChIKey | HJIAMFHSAAEUKR-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1O)(C1=CC=CC=C1)=O |
| NIST | Methanone, (2-hydroxyphenyl)phenyl-(117-99-7) |
| EPA | Methanone, (2-hydroxyphenyl)phenyl- (117-99-7) |
화학적 성질
yellow crystalline powder
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. |
|---|---|
| 규제 정보 | Chemical: Methanone, (2-hydroxyphenyl)phenyl-Methanone, (2-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A skin and strong eye irritant[Alfa Aesar MSDS] See Benzophenone. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (97.7%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29145000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39-36 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
2-Hydroxybenzophenone was used to quantify the metabolites of unmethylated extracts from the supernatants of Pseudomonas acidovorans cultures grown on 1,1-diphenylethylene.
일반 설명
2-Hydroxybenzophenone forms copolymer 2-hydroxy, 3-allyl, 4,4′-dimethoxybenzophenone with methyl methacrylate.It forms photostabilizer compounds with 2,2,6,6-tetramethylpiperidine under phase transfer catalysis conditions. It reacts with 3-aminophenyl boronic acid to form macrocyclic boronates.
제조 및 합성 방법
제조 방법
Preparation by Friedel–Crafts acylation of benzene in the presence of aluminium chloride, with 2-hydroxybenzoyl chloride (salicylic acid chloride), (52%), (39%), at temperature with o-anisoyl chloride. Demethylation occurred during the Friedel–Crafts acylation, especially in the presence of ferric chloride at 130–140°; with 2-ethoxybenzoyl chloride in a boiling water bath (42%).