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

개요

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.

이름 및 식별자

우선 이름: Bis(4-chlorophenyl)acetic acid
IUPAC: 2,2-bis(4-chlorophenyl)acetic acid
영어명: 4,4'-DDA
분자식: C14H10Cl2O2
분자량: 281.13

이름 및 동의어

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

이름 더 보기

4,4'-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 258

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

LogP4.64

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 167 · 167-169 °C (lit.)
끓는 점: 392.54 °C · 392.54°C (rough estimate)
밀도: 1.2624 · 1.2624 (rough estimate)
굴절률: 1.473 · 1.4730 (estimate)
저장 조건: 0 · 0-6°C
산도 계수 (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: p,p'-Dichlorodiphenylacetic acid (83-05-6)

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: AF5475000
독성: 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
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 3건

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)