디도

4-Chloro-beta-(4-chlorophenyl)benzeneethanol

HCID 17533

기본 정보

CAS: 2642-82-2
표준 SMILES: OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey: ZVIDYKRNLNAXFT-UHFFFAOYSA-N
분자식: C14H12Cl2O
평균 분자량: 267.1 g/mol
단동위원소 질량: 266.02652036

개요

2,2-bis(4-chlorophenyl)ethanol is a organochlorine compound that is 4,4'-dichlorodiphenylmethane in which one of the methylene hydrogens is replaced by a hydroxymethyl group. It has a role as a xenobiotic metabolite. It is a primary alcohol and a member of monochlorobenzenes. It is functionally related to a 4,4'-dichlorodiphenylmethane.

이름 및 식별자

우선 이름: 4-Chloro-beta-(4-chlorophenyl)benzeneethanol
IUPAC: 2,2-bis(4-chlorophenyl)ethanol
현지명: 디도
영어명: DDOH
분자식: C14H12Cl2O
분자량: 267.15

이름 및 동의어

2,2-Bis(4-chlorophenyl)ethanolDDOH2642-82-2p,p'-Ddoh2,2-Bis(4-chlorophenyl)-1-hydroxyethaneEthanol, 2,2-bis(p-chlorophenyl)-DTXSID50413084-Chloro-beta-(4-chlorophenyl)benzeneethanolNSC-8942Benzeneethanol, 4-chloro-beta-(4-chlorophenyl)-59856K2U1EDTXCID3021308

이름 더 보기

디도p'-DdohC12070000 4,4`-DDOH2,2-Bis4-chlorophenylCetirizine Impurity 864,4′-DDOH, CAS 2642-82-2

CHEBI:28410RefChem:440835220-148-12,2-BIS(P-CHLOROPHENYL)ETHANOLDDOM4,4'-DDOH2,2-Bis(4'-chlorophenyl)ethanolBenzeneethanol, 4-chloro-.beta.-(4-chlorophenyl)-

데이터베이스 식별자

CAS: 2642-82-2
PubChem CID: 17533
DTXSID: DTXSID5041308
ChEMBL: CHEMBL3182945
ChEBI: CHEBI:28410
UNII: 59856K2U1E
EC Number: 220-148-1
Nikkaji: J2.162H

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 100 · 100-102 °C(lit.)
끓는 점: 387.7 · 387.7±32.0 °C(Predicted)
밀도: 1.287 · 1.287±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.42 · 14.42±0.10(Predicted)
물리적 상태: solid
BRN: 2055080 · 2055080
InChI: 1S/C14H12Cl2O/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14,17H,9H2
InChIKey: ZVIDYKRNLNAXFT-UHFFFAOYSA-N
SMILES: OCC(c1ccc(Cl)cc1)c2ccc(Cl)cc2
EPA: 2 · 2,2-Bis(p-chlorophenyl)ethanol (2642-82-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 39 reports by companies from 2 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: DA0470000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명DDOH is a metabolite of DDT and forms conjugates with palmitic acid in DDT-treated female rats.

상·하류 제품 정보

상류 원료

Benzeneacetaldehyde, 4-chloro-α-(4-chlorophenyl)-4,4'-DDA 4,4'-ddnu 4-Chlorobenzyl alcohol p-클로로벤즈알데히드

하류 제품

4,4'-디클로로벤즈히드롤 4,4'-DDMU

공급사9 곳

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

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