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Chlorhydrochinon
2-CHLOROHYDROQUINONE · CHLOROQUINOL · chlorhydrochinon · CHLOROHYDROCHINON · chloro-hydroquinon · CHLOROHYDROQUINONE · 2-Chlorohydroquinine · Hydroquinone, chloro-
Identifikatoren & physikalische Daten
| CAS No. | 615-67-8 |
|---|---|
| Summenformel | C6H5ClO2 |
| Durchschnittliche Molmasse | 144,55 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | Chlorhydrochinon |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Stoffklassen | Other Classes -> Halogenated Monoaromatics |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | log Kow = 1.40 |
| Color/Form | WHITE TO LIGHT-TAN FINE CRYSTALS |
| Löslichkeit | VERY SOL IN WATER AND ALC, SLIGHTLY SOL IN ETHERDMSO (Slightly), Methanol (Slightly)soluble |
| Siedepunkt | 263 °C263 °C (lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes ... . |
| Schmelzpunkt | 100 °C100-104 °C (lit.) |
| Physical Description | White to light tan solid[Hawley] Light brown powder[MSDSonline] |
| Dichte | 1.2558 (rough estimate) |
| Brechungsindex | 1.4620 (estimate) |
| Flammpunkt | 263°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 9.21±0.18(Predicted) |
| Aggregatzustand | Fine Crystalline Powder |
| Farbe | Light brown to gray |
| 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 |
| CAS Datenbank | 615-67-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Benzenediol, 2-chloro-(615-67-8) |
| EPA chemische Informationen | Chlorohydroquinone (615-67-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | TP - indicates a substance that is the subject of a proposed TSCA section 4 test rule. |
| Gefahrenübersicht | 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%) |
| Entsorgungsverfahren | 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/ |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN2811 |
| Zollcode | 29081990 |
| RTECS-Nr. | MX4800000 |
| R-Sätze (R) | 21-36/37/38-43 |
| Toxizität | 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. |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36/37-37/39-26 |
| Gefahrenklasse | 6.1Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 615-67-8(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
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.
Herstellung & Synthese
synthetische
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.