Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-클로로프탈산
4-클로로프탈산 · 4-Chlorophthalicaci · P-CHLOROPHTHALIC ACID · 4-CHLOROPHTHALIC ACID · 4-chloro-o-phthalic acid · 4-Chloro-1,2-benzenedicarboxylic acid · 1,2-Benzenedicarboxylic acid, 4-chloro-
식별자 및 물리적 특성
| CAS No. | 89-20-3 |
|---|---|
| 분자식 | C8H5ClO4 |
| 평균 분자량 | 200.57 g/mol |
| 단동위원소 질량 | 199.98763632 g/mol |
| SMILES | O=C(O)c1ccc(Cl)cc1C(=O)O |
| InChIKey | DVIPPHSQIBKWSA-UHFFFAOYSA-N |
| PubChem CID | 6964 |
| EC No. | 201-886-3 |
| DTXSID | DTXSID2045022 |
| 현지명 | 4-클로로프탈산 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 74.6 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 228 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Collision Cross Section | 132.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0044442] |
| 녹는점 | 157 °C |
| 끓는 점 | 399.5±27.0 °C(Predicted) |
| 밀도 | 1.586±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 2.88±0.10(Predicted) |
| EPA | 1,2-Benzenedicarboxylic acid, 4-chloro- (89-20-3) |
안전 및 규제
| GHS 분류 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1,2-Benzenedicarboxylic acid, 4-chloro- |
| Hazard Classes and Categories | Acute Tox. 4 (50%) |
| TSCA 등재 상태 | TSCA listed |
용도
개요
4-Chlorophthalic acid is converted into biphenyltetracarboxylic acid by dehalogenation and quantitative reaction, and this compound is useful in industry as a raw material for, for example, heat-resistant resins and resin plasticizers. A known method for producing 4-chlorophthalic acid is, for example, a method of chlorinating phthalic acid in an aqueous medium in the presence of caustic alkali. A common method is to use a caustic alkali aqueous solution in which chlorine is dissolved as a bed solution. Chlorine gas is supplied to react.