2,5-ジクロロ-1,4-ベンゼンジオール

2,5-Dichlorohydroquinone

HCID 65CAS 824-69-1

基本情報

標準SMILES: Oc1cc(Cl)c(O)cc1Cl
InChIKey: AYNPIRVEWMUJDE-UHFFFAOYSA-N
分子式: C6H4Cl2O2
平均分子量: 179 g/mol
単同位体質量: 177.95883473

概要

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.

名称と識別子

優先名称: 2,5-Dichlorohydroquinone
IUPAC: 2,5-dichlorobenzene-1,4-diol
現地名: 2,5-ジクロロ-1,4-ベンゼンジオール
英語名: 2,5-Dichlorohydroquinone
分子式: C6H4Cl2O2
分子量: 179

名称と別名

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

名称をさらに表示

2,5-ジクロロヒドロキノン2,5-ジクロロベンゼン-1,4-ジオール2,5-ジクロロ-1,4-ベンゼンジオール2,5-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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.7
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 106

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 168 · 168-171 °C (lit.)
沸点: 255.02 °C · 255.02°C (rough estimate)
比重(密度): 1.4512 · 1.4512 (rough estimate)
屈折率: 1.442 · 1.4420 (estimate)
酸解離定数(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
InChIKey: AYNPIRVEWMUJDE-UHFFFAOYSA-N
SMILES: Oc1cc(Cl)c(O)cc1Cl
CAS データベース: 824 · 824-69-1(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1,4-Benzenediol, 2,5-dichloro- (824-69-1)

化学的性質

化学的特性almost white to pink-brown crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesSkin Corr. 1B (90.7%)

安全データ

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
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing Information1,4-Benzenediol, 2,5-dichloro-: INACTIVE

応用分野 · 1 件

一般的な説明2,5-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.

上流・下流製品情報

上流原料

Phenol, 2,5-dichloro-4-ethoxy-2,5-ジクロロ-1,4-ベンゾキノン 2,5-ジクロロ-4-アミノフェノールエチルアルミニウムジクロリド 2-クロロ-2,5-シクロヘキサジエン-1,4-ジオン 2,4,5-トリクロロフェノール

下流製品

5,6-dichlorocyclohex-2-ene-1,4-dione 1,4-Benzenediol, 2,3-dichloro- (9CI)チアントレン5-オキシド

サプライヤー32 社

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]

補足説明

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