2,5-디클로로하이드로퀴논

2,5-Dichlorohydroquinone

HCID 65CAS 824-69-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Oc1cc(Cl)c(O)cc1Cl
InChIKey
AYNPIRVEWMUJDE-UHFFFAOYSA-N
분자식
C6H4Cl2O2
평균 분자량
179 g/mol
단동위원소 질량
177.95883473

개요

2,5-dichlorohydroquinone is a dichlorohydroquinone that is hydroquinone substituted by chloro groups at positions 2 and 5 respectively. It has a role as a bacterial xenobiotic metabolite.

이름 및 식별자

우선 이름
2,5-Dichlorohydroquinone
IUPAC
2,5-dichlorobenzene-1,4-diol
현지명
2,5-디클로로하이드로퀴논
영어명
2,5-Dichlorohydroquinone
분자식
C6H4Cl2O2
분자량
179

이름 및 동의어

2,5-dichlorohydroquinone824-69-12,5-dichlorobenzene-1,4-diol2,5-Dichloro-p-hydroquinone2,5-Dichloro-1,4-hydroquinone2,5-Dichloro-p-benzohydroquinone2,5-DCHQ2,5-Dichloro-1,4-benzenediolD489X4TQVDNSC-48667DTXSID4061179CHEBI:27545
이름 더 보기
2,5-디클로로하이드로퀴논2,5-dichloro-4-benzenediol2,5-Dichlorohydroquinone,98%2,5-Dichlorohydroquinone 98%
RefChem:444339DTXCID70482972,5-DCH212-533-81,4-Benzenediol, 2,5-dichloro-Hydroquinone, 2,5-dichloro-2,5-Dichloro-1,4-dihydroxybenzeneMFCD00041749

데이터베이스 식별자

CAS
824-69-1
PubChem CID
65
DTXSID
DTXSID4061179
ChEBI
CHEBI:27545
UNII
D489X4TQVD
EC Number
212-533-8
Nikkaji
J134.688A

물성

구조 계산 물성

XLogP
2.7
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점
168 · 168-171 °C (lit.)
끓는 점
255.02 °C · 255.02°C (rough estimate)
밀도
1.4512 · 1.4512 (rough estimate)
굴절률
1.442 · 1.4420 (estimate)
산도 계수 (pKa)
7.96 · 7.96±0.23(Predicted)
InChI
1S/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H

화학적 성질

almost white to pink-brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (90.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 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 CategoriesSkin Corr. 1B (90.7%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 3
risk_code
34
hazard_code
C
safety_code
26-27-36/37/39-45

화학 및 산업

용도 및 제조

General Manufacturing Information1,4-Benzenediol, 2,5-dichloro-: INACTIVE
응용 분야 · 1건

일반 설명2,5-Dichlorohydroquinone (2,5-DCHQ) is a hydroquinone derivative that can be synthesized by reducing 2,5-dichloroquinone using sodium dithionite (Na2S2O4). The kinetics of the reaction of 2,5-DCHQ and N-phenyl-1,4-benzoquinonemonoimine has been studied. The transformation of 2,5-DCHQ to 2-chloromaleylacetate using PcpA (Pcp = pentachlorophenol) protein, isolated from Escherichia coli has been investigated. It is reported to be the degradation product of 2,4,5-trichlorophenoxyacetic acid and γ-hexachlorocyclohexane.

상·하류 제품 정보

공급사32 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

추가 설명

정의ChEBI: A dichlorohydroquinone that is hydroquinone substituted by chloro groups at positions 2 and 5 respectively.

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