4-クロロフタル酸

4-クロロ-1,2-ベンゼンジカルボン酸 · 4-クロロフタル酸 · 4-クロロ-O-フタル酸 · 4クロロフタル酸 · 4-Chlorophthalicaci · P-CHLOROPHTHALIC ACID · 4-CHLOROPHTHALIC ACID · 4-chloro-o-phthalic acid

https://huagongshe.com/ja/chemical/6964

識別子と物理属性

CAS No.	89-20-3
分子式	C8H5ClO4
平均分子量	200.57 g/mol
単同位体質量	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
現地名	4-クロロフタル酸

化学・物理的性質

XLogP	2.4
極性表面積	74.6
水素結合供与体数	2
水素結合受容体数	4
回転可能結合数	2
重原子数	13
形式電荷	0
複雑度	228
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Collision Cross Section	132.5 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0044442]
融点	157 °C
沸点	399.5±27.0 °C(Predicted)
密度	1.586±0.06 g/cm3(Predicted)
貯蔵条件	Sealed in dry,Room Temperature
pKa（酸解離定数）	2.88±0.10(Predicted)
CAS データベース	89-20-3(CAS DataBase Reference)
EPAの化学物質情報	1,2-Benzenedicarboxylic acid, 4-chloro- (89-20-3)

安全性と法規制

GHS 分類	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.
規制情報	Chemical: 1,2-Benzenedicarboxylic acid, 4-chloro-
Hazard Classes and Categories	Acute Tox. 4 (50%)
TSCA 収載状態	TSCA listed

用途

説明

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.