HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Clorofen
2-BENZYL-4-CHLOROPHENOL · CHLOROPHENE · Santophen · Clorophene · O-BENZYL-P-CHLOROPHENOL · 4-CHLORO-2-BENZYL PHENOL · ketolinh · CLOROFEN
Identifikatoren & physikalische Daten
| CAS No. | 120-32-1 |
|---|---|
| Summenformel | C13H11ClO |
| Durchschnittliche Molmasse | 218,68 g/mol |
| Monoisotopische Masse | 218,0498427 g/mol |
| SMILES | Oc1ccc(Cl)cc1Cc1ccccc1 |
| InChIKey | NCKMMSIFQUPKCK-UHFFFAOYSA-N |
| PubChem CID | 8425 |
| ChEMBL | CHEMBL1328919 |
| ChEBI | CHEBI:228003 |
| EC No. | 204-385-8 |
| DTXSID | DTXSID5020154 |
| Lokaler Name | Clorofen |
Chemische & physikalische Eigenschaften
| XLogP | 4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 189 |
| LogP (Verteilungskoeffizient) | log Kow = 3.6 |
| Geruch | White to light tan or pink flakes |
| Dichte | 1.22 (NTP, 1992) - Denser than waterwill sink1.185 at 58 °C1.188 g/mL at 25 °C(lit.) |
| Color/Form | White to light tan or pink flakes |
| Löslichkeit | less than 1 mg/mL at 61 °F (NTP, 1992)Highly sol in alcohol and other org solventsIn water, 149 mg/L at 25 °C0.12g/l<0.1 g/100 mL at 16 ºC |
| Corrosivity | Noncorrosive to most metals |
| Flammpunkt | 370 °F (NTP, 1992)>230 °F |
| Siedepunkt | 320 to 324 °F at 3.5 mmHg (NTP, 1992)160-162 °C at 3.5 mm Hg160-162 °C(lit.) |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
| Schmelzpunkt | 119.3 °F (NTP, 1992)48.5 °C46-49 °C(lit.) |
| Dampfdruck | 0.1 mmHg at 68 °F (NTP, 1992)0.0000506 [mmHg]1.87X10-7 kPa = 1.4X10-6 mm Hg /extrapolated/ |
| Physical Description | Ortho-benzyl-para-chlorophenol appears as white to light tan or pink flakes or white crystals. Insoluble in water. Slight phenolic odor. (NTP, 1992)White to light tan or pink solid[Hawley] |
| Brechungsindex | 1.5260 (estimate) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| pKa (Säurekonstante) | 9.81±0.43(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Yellow to Orange |
| pH | 5.3 (H2O, 22.5℃)(saturated aqueous solution) |
| Merck | 14,2407 |
| BRN | 1959194 |
| Henry-Konstante | 3.7×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Kosmetik-Inhaltsstoffe Funktionen | ANTIMICROBIALPRESERVATIVE |
| InChI | 1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2 |
| InChIKey | NCKMMSIFQUPKCK-UHFFFAOYSA-N |
| SMILES | Oc1ccc(Cl)cc1Cc2ccccc2 |
| LogP (Verteilungskoeffizient) | 4.276 at 25℃ |
| NIST chemische Informationen | Phenol, 4-chloro-2-benzyl-(120-32-1) |
| EPA chemische Informationen | o-Benzyl-p-chlorophenol (120-32-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315: Causes skin irritation [Warning Skin corrosion/irritation]H317: May cause an allergic skin reaction [Warning Sensitization, Skin]H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]H351: Suspected of causing cancer [Warning Carcinogenicity]H361f: Suspected of damaging fertility [Warning Reproductive toxicity]H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P203, P260, P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for 3.3% (5 of 150) of reports. |
|---|---|
| Regulatorische Informationen | Chemical: Phenol, 4-chloro-2-(phenylmethyl)-Reg. (EC) No 2076/2002Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/250192-Benzyl-4-chlorophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Chlorophene preservatives: Environment tier II assessmentIMAP assessments - Phenol, 4-chloro-2-(phenylmethyl)-: Human health tier II assessment |
| DOT-Kennzeichnung | Class 9 |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Brandpotenzial | Combustible |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound in humans include drowsiness, loss of consciousness, irregular pulse and cyanosis. It may also cause irritation of the skin and mucous membranes. It is corrosive to the eyes, and extremely corrosive to the mouth and throat. Swallowing dusts or solids causes severe and rapid burning of the mouth, throat and digestive tract accompanied by severe pain, vomiting and collapse. It has also caused severe porphyrea cutanea tarda. |
Anwendungen & Verwendung
Verwenden
In household, hospital and veterinary disinfectant preparations.