2,5-ジクロロ-1,4-ベンゼンジオール
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-Dichlorobenzene-1,4-diol · 2,5-Dichlorohydroquinone · 2,5-dichloro-4-benzenediol · Hydroquinone, 2,5-dichloro- · 2,5-Dichloro-p-hydroquinone
識別子と物理属性
| CAS No. | 824-69-1 |
|---|---|
| 分子式 | C6H4Cl2O2 |
| 平均分子量 | 179 g/mol |
| 単同位体質量 | 177.95883473 g/mol |
| SMILES | Oc1cc(Cl)c(O)cc1Cl |
| InChIKey | AYNPIRVEWMUJDE-UHFFFAOYSA-N |
| PubChem CID | 65 |
| ChEBI | CHEBI:27545 |
| EC No. | 212-533-8 |
| DTXSID | DTXSID4061179 |
| 現地名 | 2,5-ジクロロ-1,4-ベンゼンジオール |
化学・物理的性質
| XLogP | 2.7 |
|---|---|
| 極性表面積 | 40.5 |
| 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 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 融点 | 168-171 °C (lit.) |
| 沸点 | 255.02°C (rough estimate) |
| 密度 | 1.4512 (rough estimate) |
| 屈折率 | 1.4420 (estimate) |
| pKa（酸解離定数） | 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 | 824-69-1(CAS DataBase Reference) |
| EPAの化学物質情報 | 1,4-Benzenediol, 2,5-dichloro- (824-69-1) |
化学的特性
almost white to pink-brown crystalline powder
安全性と法規制
| GHS 分類 | DangerH314 (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. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (90.7%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 輸送番号（UN） | UN 3261 8/PG 3 |
| 危険文句（R） | 34 |
| 危険表示 | C |
| 安全措置（S） | 26-27-36/37/39-45 |
| 危険等級 | Eye Dam. 1Skin Corr. 1B |
| 貯蔵分類 | 8A - Combustible corrosive hazardous materials |
用途
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.