4-클로로프탈산

4-Chlorophthalic acid

HCID 6964CAS 89-20-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc(Cl)cc1C(=O)O
InChIKey: DVIPPHSQIBKWSA-UHFFFAOYSA-N
분자식: C8H5ClO4
평균 분자량: 200.57 g/mol
단동위원소 질량: 199.98763632

이름 및 식별자

우선 이름: 4-Chlorophthalic acid
IUPAC: 4-chlorophthalic acid
현지명: 4-클로로프탈산
영어명: 4-Chlorophthalic acid
분자식: C8H5ClO4
분자량: 200.58

이름 및 동의어

4-CHLOROPHTHALIC ACID1,2-Benzenedicarboxylic acid, 4-chloro-Phthalic acid, 4-chloro-UNII-F7T40O3AM64-CHLORO-1,2-BENZENEDICARBOXYLIC ACIDF7T40O3AM6EINECS 201-886-3NSC 57755NSC-57755J95.379BDTXSID2045022RefChem:98611

이름 더 보기

4-클로로프탈산4-ChlorophthalicaciP-CHLOROPHTHALIC ACID4-chloro-o-phthalic acid

DTXCID0025022Phthalic acid, 4-chloro-(8CI)201-886-3DVIPPHSQIBKWSA-UHFFFAOYSA-NInChI=1/C8H5ClO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,1389-20-34-chlorobenzene-1,2-dicarboxylic acidMFCD00044755

데이터베이스 식별자

CAS: 89-20-3
PubChem CID: 6964
DTXSID: DTXSID2045022
UNII: F7T40O3AM6
EC Number: 201-886-3
Nikkaji: J95.379B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 74.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 228

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Collision Cross Section132.5 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044442]

물리화학적 성질

녹는점: 157 °C · 157 °C
끓는 점: 399.5 · 399.5±27.0 °C(Predicted)
밀도: 1.586 · 1.586±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 2.88 · 2.88±0.10(Predicted)
EPA: 1 · 1,2-Benzenedicarboxylic acid, 4-chloro- (89-20-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Regulatory InformationChemical: 1,2-Benzenedicarboxylic acid, 4-chloro-

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

tsca: TSCA listed

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Benzenedicarboxylic acid, 4-chloro-: ACTIVE

응용 분야 · 1건

개요4-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.