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1-(Chlormethyl)-4-(methylthio)benzol
4-(METHYLTHIO)BENZYL · (4-(chloroMethyl)phenyl)(Methyl)sulfane · 4-Chloromethyl · Einecs 212-870-0 · Etoricoxib Impurity 91 · 4-(Chloromethyl)thioanisole · 4-thiomethyl-benzyl chloride · P-(METHYLTHIO)BENZYL CHLORIDE
Identifikatoren & physikalische Daten
| CAS No. | 874-87-3 |
|---|---|
| Summenformel | C8H9ClS |
| Durchschnittliche Molmasse | 172,68 g/mol |
| Monoisotopische Masse | 172,01134897 g/mol |
| SMILES | CSc1ccc(CCl)cc1 |
| InChIKey | VWVZFHRDLPHBEG-UHFFFAOYSA-N |
| PubChem CID | 70128 |
| EC No. | 212-870-0 |
| DTXSID | DTXSID30236330 |
| Lokaler Name | 1-(Chlormethyl)-4-(methylthio)benzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87,3 |
| Siedepunkt | 116°C 8mm |
| Dichte | 1.170 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.6020(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Wichte | 1.18 |
| Löslichkeit | It hydrolyzes in water. |
| InChI | 1S/C8H9ClS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | VWVZFHRDLPHBEG-UHFFFAOYSA-N |
| SMILES | CSc1ccc(CCl)cc1 |
| CAS Datenbank | 874-87-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1760 8/PG 2 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-(Methylthio)benzyl chloride is used as pharmaceutical intermediate.