HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-p-kresol
3-Chloro-p-cresol · p-Cresol, 3-chloro- · 3-Chloro-4-methylphenol · 2-Chloro-4-hydroxytoluene · Phenol, 3-chloro-4-methyl- · 3-Chloro-4-methylphenol 98% · 3-Chloro-4-methylphenol, CAS 615-62-3 · 2-Chloro-4-hydroxytoluene, 3-Chloro-p-cresol
Identifikatoren & physikalische Daten
| CAS No. | 615-62-3 |
|---|---|
| Summenformel | C7H7ClO |
| Durchschnittliche Molmasse | 142,58 g/mol |
| Monoisotopische Masse | 142,0185425 g/mol |
| SMILES | Cc1ccc(O)cc1Cl |
| InChIKey | VQZRLBWPEHFGCD-UHFFFAOYSA-N |
| PubChem CID | 14853 |
| EC No. | 210-439-1 |
| DTXSID | DTXSID9060655 |
| Lokaler Name | 3-Chlor-p-kresol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94 |
| Schmelzpunkt | 48-53 °C |
| Siedepunkt | 228 °C |
| Dichte | 0,963g/cm |
| Brechungsindex | 1,403 |
| Flammpunkt | 228°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | powder to lump |
| pKa (Säurekonstante) | 9.30±0.18(Predicted) |
| Farbe | Light yellow to Amber to Dark green |
| InChI | InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3 |
| InChIKey | VQZRLBWPEHFGCD-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C)C(Cl)=C1 |
| CAS Datenbank | 615-62-3(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 3-chloro-4-methyl- (615-62-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, 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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (98%)Skin Irrit. 2 (100%)Eye Dam. 1 (98%)STOT SE 3 (98%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3437 |
| Zollcode | 29089990 |
| R-Sätze (R) | 20/21/22-36/37/38-38-21/22-41-37/38 |
| Gefahrensymbole | C,T,Xi,Xn |
| hazard_note | Toxic/Corrosive |
| Sicherheitshinweise (S) | 23-36/37/39-28-26-39 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 13 - Non Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Chloro-4-methylphenol is used in preparation of (Carbonyl)benzylthiadiazoles as herbicides.