HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chlorphenesin
Chlorophenesin · CHLORPHENSIN · CHLORPHENESINE · MYCIL · Demykon · LGB-CPH · Gecophen · NSC 6401
Identifikatoren & physikalische Daten
| CAS No. | 104-29-0 |
|---|---|
| Summenformel | C9H11ClO3 |
| Durchschnittliche Molmasse | 202,63 g/mol |
| Monoisotopische Masse | 202,0396719 g/mol |
| SMILES | OCC(O)COc1ccc(Cl)cc1 |
| InChIKey | MXOAEAUPQDYUQM-UHFFFAOYSA-N |
| PubChem CID | 7697 |
| ChEMBL | CHEMBL388751 |
| ChEBI | CHEBI:3642 |
| EC No. | 203-192-6 |
| DTXSID | DTXSID0049028 |
| Lokaler Name | Chlorphenesin |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 135 |
| Kosmetika | Cosmetic ingredients (Chlorphenesin) -> CIR (Cosmetic Ingredient Review)Preservative |
| LogP (Verteilungskoeffizient) | 1.2 |
| Löslichkeit | 1.04e+01 g/LDMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Sonicated)Slightly soluble in water. |
| Schmelzpunkt | 86–9278 °C77-79°C |
| Physical Description | Solid |
| Siedepunkt | 290.96°C (rough estimate) |
| Dichte | 1.2411 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5470 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 13.44±0.20(Predicted) |
| Farbe | White to Off-White |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIALPRESERVATIVE |
| InChIKey | MXOAEAUPQDYUQM-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)OCC(O)CO |
| LogP (Verteilungskoeffizient) | 1.23 at 23℃ |
| CAS Datenbank | 104-29-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1,2-Propanediol, 3-(4-chlorophenoxy)-(104-29-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (30.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 353 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Propanediol, 3-(4-chlorophenoxy)-REACH registered substance: Chlorphenesin (EC: 203-192-6)Chlorphenesin: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,2-Propanediol, 3-(4-chlorophenoxy)-: Environment tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (30.6%) |
| Toxizitätsübersicht | Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org |
| Wassergefährdungsklasse (WGK) | WGK 2 |
| Zollcode | 29094990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Sicherheitshinweise (S) | 26-36-37 |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
Chlorphenesin is an antigen-associated immunosuppressant that inhibits IgE-mediated histamine release. Chlorphenesin is also used as an antimycotic agent.