Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-(4-클로로벤조일)벤조산
2-(4-클로로벤조일)벤조산 · CBBA · NSC 7825 · 2-(4-Chloro · TIMTEC-BB SBB003088 · p-Chlorobenzoylbenzoic acid · 4-Chlro-2-benzoylbenzoic acid · 2-(4-Chlorobenzoyl)benzoicaci
식별자 및 물리적 특성
| CAS No. | 60839-51-2 |
|---|---|
| 분자식 | C14H9ClO3 |
| 평균 분자량 | 260.67 g/mol |
| 단동위원소 질량 | 260.0240218 g/mol |
| SMILES | O=C(O)c1ccccc1C(=O)c1ccc(Cl)cc1 |
| InChIKey | YWECCEXWKFHHQJ-UHFFFAOYSA-N |
| PubChem CID | 66564 |
| ChEMBL | CHEMBL81936 |
| EC No. | 201-615-9 |
| DTXSID | DTXSID1058927 |
| 현지명 | 2-(4-클로로벤조일)벤조산 |
화학 및 물리적 성질
| XLogP | 3.1 |
|---|---|
| 극성 표면적 | 54.4 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 18 |
| 형식 전하 | 0 |
| 복잡도 | 321 |
| 녹는점 | 149-150 °C (lit.) |
| 끓는 점 | 470.8±30.0 °C(Predicted) |
| 밀도 | 1.357±0.06 g/cm3(Predicted) |
| 증기압 | 0Pa at 20℃ |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 0.28g/L |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 3.26±0.36(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| pH | 3 (1g/l, H2O, 20℃) |
| 용해도 | 136mg/L at 20℃ |
| BRN | 649894 |
| 헨리 상수 | 3.4×105 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| InChI | 1S/C14H9ClO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18) |
| InChIKey | YWECCEXWKFHHQJ-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccccc1C(=O)c2ccc(Cl)cc2 |
| LogP(분배 계수) | 1 at 25℃ |
| EPA | Benzoic acid, 2-(4-chlorobenzoyl)- (85-56-3) |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | WarningH302 (60.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.4%): 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, 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 114 reports by companies from 10 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: 08-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22870 |
| Hazard Classes and Categories | Acute Tox. 4 (60.5%)Skin Irrit. 2 (98.2%)Eye Irrit. 2A (98.2%)STOT SE 3 (97.4%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29183000 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 참고 사항 | Irritant |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-(4-Chlorobenzoyl)benzoic acid was used in the preparation of bisphthalazinone monomers, required for the synthesis of phthalazinone containing poly(arylene ether)s, poly(arylene thioether)s and poly(arylene sulfone)s.
일반 설명
2-(4-Chlorobenzoyl)benzoic acid forms complexes with europium and terbium having photoluminescence properties.