Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Phenylbenzoyl chloride
4-PHENYLBENZOYL CHLORIDE · P-PHENYLBENZOYL CHLORIDE · Biphenyl-4-formyl Chloro · 4-PhenylbenzoylChloride>Biphenyl-4-formyl chloride · 4-BIPHENYLCARBONYL CHLORIDE · Bisphenyl-4-carbonychloride · BIPHENYL-4-CARBONYL CHLORIDE · Biphenyl-4-carboxyl chloride
식별자 및 물리적 특성
| CAS No. | 14002-51-8 |
|---|---|
| 분자식 | C13H9ClO |
| 평균 분자량 | 216.66 g/mol |
| 단동위원소 질량 | 216.03419259 g/mol |
| SMILES | O=C(Cl)c1ccc(-c2ccccc2)cc1 |
| InChIKey | JPVUWCPKMYXOKW-UHFFFAOYSA-N |
| PubChem CID | 84151 |
| EC No. | 237-804-8 |
| DTXSID | DTXSID5065693 |
화학 및 물리적 성질
| XLogP | 4.5 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 213 |
| SpringerMaterials Properties | Chemical structure |
| 녹는점 | 110-112 °C (lit.) |
| 끓는 점 | 160 °C / 2mmHg |
| 밀도 | 1.1459 (rough estimate) |
| 굴절률 | 1.5260 (estimate) |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 미세 결정성 분말 |
| 색상 | 흰색에서 노란색으로 |
| 용해도 | 가수 분해 |
| BRN | 472842 |
| InChI | 1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| InChIKey | JPVUWCPKMYXOKW-UHFFFAOYSA-N |
| SMILES | ClC(=O)c1ccc(cc1)-c2ccccc2 |
| EPA | [1,1'-Biphenyl]-4-carbonyl chloride (14002-51-8) |
화학적 성질
4-Biphenylcarbonyl chloride is white to yellow fine crystalline powder
안전 및 규제
| GHS 분류 | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Status: Active Update: 03-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24575 |
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3261 8/PG 2 |
| 관세 코드 | 29163990 |
| 위험 문구(R) | 14-34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-43-45-25 |
| 포장분류 | II |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1B |
| F 고인화성물질 | 21-10 |
| 위험 참고 사항 | Corrosive/Lachrymatory/Moisture Sensitive |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
용도
Biphenyl-4-carbonyl chloride was used in the preparation of a novel thiourea compound, N-(6-methyl pyridin-2-yl-carbamothioyl)biphenyl-4-carboxamide. It was also used in the preparation of 5-CF3-oxazole analog, 2-{4-[2-(2-biphenyl-4-yl-5-trifluoromethyl-oxazol-4-yl)-ethoxy]-phenoxy}-2-methyl-propionic acid.