HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80409Erstellt: 25. Oktober 2026
p-Chlortoluol-α-thiol
(4-Chlorophenyl)methanethiol · 4-CHLOROBENZYL MERCA · p-Chloro-toluenethiol · P-CHLORO-A-TOLUENETHIOL · 4-chloro-à-toluenethiol · 4-Chloro-a-toluenethiol · P-CHLOROBENZYL MERCAPTAN · 4-Chlorobenzyl mercaptan
https://huagongshe.com/de/chemical/80409
Identifikatoren & physikalische Daten
| CAS No. | 6258-66-8 |
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| Summenformel | C7H7ClS |
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| Durchschnittliche Molmasse | 158,65 g/mol |
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| Monoisotopische Masse | 157,9956989 g/mol |
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| SMILES | SCc1ccc(Cl)cc1 |
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| InChIKey | GKQXPTHQTXCXEV-UHFFFAOYSA-N |
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| PubChem CID | 80409 |
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| ChEMBL | CHEMBL1224555 |
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| EC No. | 228-395-7 |
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| DTXSID | DTXSID00211619 |
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| Lokaler Name | p-Chlortoluol-α-thiol |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 1 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 77 |
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| Schmelzpunkt | 19-20 °C(lit.) |
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| Siedepunkt | 125°C 35mm |
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| Dichte | 1.202 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.5893(lit.) |
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| Flammpunkt | 170 °F |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| pKa (Säurekonstante) | 9.32±0.10(Predicted) |
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| Aggregatzustand | powder to lump to clear liquid |
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| Farbe | White or Colorless to Light yellow |
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| BRN | 606496 |
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| InChI | 1S/C7H7ClS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
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| InChIKey | GKQXPTHQTXCXEV-UHFFFAOYSA-N |
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| SMILES | SCc1ccc(Cl)cc1 |
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| CAS Datenbank | 6258-66-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, 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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN2810 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 36/37/38-20/21/22 |
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| Gefahrensymbole | Xi,Xn |
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| hazard_note | Irritant/Stench |
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| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
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| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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