2,5-디클로로하이드로퀴논
2,5-디클로로하이드로퀴논 · 2,5-Dichlorobenzene-1,4-diol · 2,5-Dichlorohydroquinone · 2,5-dichloro-4-benzenediol · Hydroquinone, 2,5-dichloro- · 2,5-Dichloro-p-hydroquinone · 2,5-Dichlorohydroquinone,98% · 2,5-Dichlorohydroquinone 98%
식별자 및 물리적 특성
| CAS No. | 824-69-1 |
|---|---|
| 분자식 | C6H4Cl2O2 |
| 평균 분자량 | 179 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | 2,5-디클로로하이드로퀴논 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 106 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| 녹는점 | 168-171 °C (lit.) |
| 끓는 점 | 255.02°C (rough estimate) |
| 밀도 | 1.4512 (rough estimate) |
| 굴절률 | 1.4420 (estimate) |
| pKa(산도 계수) | 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 |
| EPA | 1,4-Benzenediol, 2,5-dichloro- (824-69-1) |
화학적 성질
almost white to pink-brown crystalline powder
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3261 8/PG 3 |
| 위험 문구(R) | 34 |
| 위험 표시 | C |
| 안전 문구(S) | 26-27-36/37/39-45 |
| 위험 등급 | Eye Dam. 1Skin Corr. 1B |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
일반 설명
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.