Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
클로로하이드로퀴논
클로로하이드로퀴논 · 2-CHLOROHYDROQUINONE · CHLOROQUINOL · chlorhydrochinon · CHLOROHYDROCHINON · chloro-hydroquinon · CHLOROHYDROQUINONE · 2-Chlorohydroquinine
식별자 및 물리적 특성
| CAS No. | 615-67-8 |
|---|---|
| 분자식 | C6H5ClO2 |
| 평균 분자량 | 144.55 g/mol |
| 단동위원소 질량 | 143.99780708 g/mol |
| SMILES | Oc1ccc(O)c(Cl)c1 |
| InChIKey | AJPXTSMULZANCB-UHFFFAOYSA-N |
| PubChem CID | 301 |
| ChEBI | CHEBI:27675 |
| EC No. | 210-442-8 |
| DTXSID | DTXSID4060656 |
| 현지명 | 클로로하이드로퀴논 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 40.5 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 97.1 |
| 물질 분류 | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | log Kow = 1.40 |
| Color/Form | WHITE TO LIGHT-TAN FINE CRYSTALS |
| 용해도 | VERY SOL IN WATER AND ALC, SLIGHTLY SOL IN ETHERDMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 끓는 점 | 263 °C263 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes ... . |
| 녹는점 | 100 °C100-104 °C (lit.) |
| Physical Description | White to light tan solid[Hawley] Light brown powder[MSDSonline] |
| 밀도 | 1.2558 (rough estimate) |
| 굴절률 | 1.4620 (estimate) |
| 인화점 | 263°C |
| 저장 조건 | Inert atmosphere,Room Temperature |
| pKa(산도 계수) | 9.21±0.18(Predicted) |
| 물리적 상태 | 미세 결정성 분말 |
| 색상 | 밝은 갈색에서 회색까지 |
| 용해도 | 녹는 |
| BRN | 636835 |
| InChI | 1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H |
| InChIKey | AJPXTSMULZANCB-UHFFFAOYSA-N |
| SMILES | Oc1ccc(O)c(Cl)c1 |
| NIST | 1,4-Benzenediol, 2-chloro-(615-67-8) |
| EPA | Chlorohydroquinone (615-67-8) |
화학적 성질
light brown to grey fine crystalline powder. It precipitates leafy crystals from chloroform and needle-like crystals from toluene. Freely soluble in water and alcohol, slightly soluble in ether and hot chloroform.
안전 및 규제
| GHS 분류 | DangerH302 (18.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule. |
| 유해성 요약 | Not mutagenic in assays with Ames salmonella TA100 strainEmergency medical treatment: see Hydroquinone-quinone[HSDB] An irritant[MSDSonline] See Hydroquinone. |
| Hazard Classes and Categories | Acute Tox. 4 (18.4%) |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Human Toxicity Excerpts | IRRITATING BUT NOT CORROSIVE. HUMAN POISONINGS HAVE BEEN REPORTED FROM MIXTURE OF HYDROQUINONE & METOL. SYSTEMIC ACTIONS LIKE PHENOL, BUT IN ADDITION TREMORS & CONVULSIONS ARE PROMINENT, PLUS AN OCCASIONAL SEVERE HEMOLYTIC ANEMIA (SUBSEQUENT TO METHEMOGLOBINEMIA?). /HYDROQUINONE/INGESTION OF 1 G /HYDROQUINONE/ HAS CAUSED TINNITUS, NAUSEA, VOMITING, SENSE OF SUFFOCATION, SHORTNESS OF BREATH, CYANOSIS, CONVULSIONS, DELIRIUM, COLLAPSE. DEATH HAS FOLLOWED INGESTION OF 5 G. IRRITATION OF GI TRACT OCCURS WITH ORAL INGESTION. /HYDROQUINONE/DERMATITIS CAN RESULT FROM SKIN CONTACT. STAINING AND OPACIFICATION OF CORNEA OCCUR IN WORKERS EXPOSED FOR PROLONGED PERIODS TO CONCN OF VAPOR... /HYDROQUINONE/NO TOXICITY DATA WERE LOCATED. /IT IS/ PRESUMABLY SIMILAR IN TOXICITY TO HYDROQUINONE.For more Human Toxicity Excerpts (Complete) data for CHLOROHYDROQUINONE (6 total), please visit the HSDB record page. |
| Non-Human Toxicity Excerpts | CHLOROHYDROQUINONE WAS NONMUTAGENIC WHEN ASSAYED WITH THE AMES SALMONELLA TA100 STRAIN.Acute neurotoxic effects reported in animals include convulsionsmedullary paralysis. /From tableQuinones/ |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MX4800000 |
| 운송 번호(UN) | UN2811 |
| 독성 | An antidiarrhea drug used extensively in Japan. It has been shown to be the cause of subacute myelooptic neuropathy, a syndrome in which stiffness of the joints is accompanied by damage to the optic nerve. |
| 관세 코드 | 29081990 |
| 위험 문구(R) | 21-36/37/38-43 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36/37-37/39-26 |
| 포장분류 | III |
| 위험 등급 | 6.1Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
| 유해 물질 데이터 | 615-67-8(Hazardous Substances Data) |
용도
용도
Chlorohydroquinone is a component of polyethers based on organotin with potential application to breast cancer treatment via growth inhibition. Also a component in the synthesis of contraceptive agents in pharmaceutical compounds. It is also used within hydroxylation and catalysis organic reactions in the synthesis of pharmacologically active phenolic compounds.
제조 및 합성 방법
제조 방법
Chlorohydroquinone is obtained by reacting p-benzoquinone with hydrochloric acid. First dissolve p-benzoquinone with chloroform and pass dry hydrogen chloride gas under cooling to obtain.