Bis(4-chlorophenyl)acetic acid (HCID 6730)

概要

Bis(4-chlorophenyl)acetic acid is a organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position. It is a monocarboxylic acid and a member of monochlorobenzenes. It is functionally related to an acetic acid.

名称と識別子

優先名称: Bis(4-chlorophenyl)acetic acid
IUPAC: 2,2-bis(4-chlorophenyl)acetic acid
現地名: ビス(4-クロロフェニル)酢酸
英語名: 4,4'-DDA
分子式: C14H10Cl2O2
分子量: 281.13

名称と別名

Bis(4-chlorophenyl)acetic acid2,2-Bis(4-chlorophenyl)acetic acid83-05-6BIS(P-CHLOROPHENYL)ACETIC ACIDDichlorodiphenylacetic acid2,2-Bis(p-chlorophenyl)acetic acidp,p'-Dichlorodiphenylacetic acidDi(p-chlorophenyl)acetic acidBis(p-chlorphenyl)essigsaeureAcetic acid, bis(p-chlorophenyl)-N0U8S29G6E4-Chloro-alpha-(4-chlorophenyl)benzeneacetic acid

名称をさらに表示

ビス(4-クロロフェニル)酢酸ビス(p-クロロフェニル)酢酸ジクロロジフェニル酢酸2,2-ビス(4-クロロフェニル)酢酸α-(4-クロロフェニル)-4-クロロベンゼン酢酸ジ(4-クロロフェニル)酢酸2,2-ビス(p-クロロフェニル)酢酸4-クロロ-α-(4-クロロフェニル)ベンゼン酢酸P,P′-DDA標準品P,P′‐DDA標準品4,4'-DDAP,P'-DDA IN METHANOLP,P'-DDA STANDARDP,P'-DDA標準品p,p′-DDA4,4'-DDAbis(p-WLN: QYVR DG&R DGTIMTEC-BB SBB003019P,P'-DDA, 100MG, NEATdda(degradationproduct)DDA, Degradation Productdichlorodiphenylaceticacidp,p'-DDA@100 μg/mL in MeOH

CHEBI:28139Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-NSC-4279RefChem:120141201-451-8p,p'-DDANSC 4279DTXSID3040699

データベース識別子

CAS: 83-05-6
PubChem CID: 6730
DTXSID: DTXSID3040699
ChEMBL: CHEMBL1879491
ChEBI: CHEBI:28139
UNII: N0U8S29G6E
EC Number: 201-451-8
Nikkaji: J3.870I

物性

構造計算による物性

XLogP: 4.5
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 18
形式電荷: 0
複雑度: 258

実験および物理化学的性質

SpringerMaterials PropertiesFusion temperature

LogP4.64

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 167 · 167-169 °C (lit.)
沸点: 392.54 °C · 392.54°C (rough estimate)
比重(密度): 1.2624 · 1.2624 (rough estimate)
屈折率: 1.473 · 1.4730 (estimate)
貯蔵温度: 0 · 0-6°C
酸解離定数(Pka): 4.51 · 4.51±0.10(Predicted)
BRN: 1913593 · 1913593
InChI: 1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
InChIKey: YIOCIFXUGBYCJR-UHFFFAOYSA-N
SMILES: OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
EPAの化学物質情報: p,p'-Dichlorodiphenylacetic acid (83-05-6)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
rtecs: AF5475000
毒性: sln-dmg-orl 3700 mmol/L MUREAV 16,157,72
risk_code: 20/21/22-40
hazard_code: Xn
safety_code: 7-22-36-45
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological Classification · 3 件

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

Substances that stimulate mitosis and lymphocyte transformation. They include not only substances associated with LECTINS, but also substances from streptococci (associated with streptolysin S) and from strains of alpha-toxin-producing staphylococci. (Stedman, 25th ed)