HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Fluortoluol-α-thiol
(4-Fluorophenyl)methanethiol · 4-Fluorobenzenemethanethiol · 4-FLUOROBENZYLTHIOL · 4-FLUOROBENZYL MERCA · 4-Fluorobenzylthiol98% · 4-fluoro-à-toluenethiol · 4-Fluorobenzylthiol 98% · P-FLUOROBENZYL MERCAPTAN
Identifikatoren & physikalische Daten
| CAS No. | 15894-04-9 |
|---|---|
| Summenformel | C7H7FS |
| Durchschnittliche Molmasse | 142,2 g/mol |
| Monoisotopische Masse | 142,02524956 g/mol |
| SMILES | Fc1ccc(CS)cc1 |
| InChIKey | RKTRHMNWVZRZJQ-UHFFFAOYSA-N |
| PubChem CID | 85171 |
| ChEMBL | CHEMBL1224558 |
| EC No. | 240-031-9 |
| DTXSID | DTXSID50166544 |
| Lokaler Name | p-Fluortoluol-α-thiol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| Siedepunkt | 72-74 °C/15 mmHg (lit.) |
| Dichte | 1.157 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.545(lit.) |
| Flammpunkt | 170 °F |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.53±0.10(Predicted) |
| Wichte | 1.157 |
| Farbe | Colorless to pale yellow |
| BRN | 2242520 |
| InChI | 1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
| InChIKey | RKTRHMNWVZRZJQ-UHFFFAOYSA-N |
| SMILES | Fc1ccc(CS)cc1 |
| CAS Datenbank | 15894-04-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (71.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (85.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (71.4%): 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+P351+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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 7 reports by companies.There are 3 notifications provided by 6 of 7 reports by companies with hazard statement code(s).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 (85.7%)Acute Tox. 4 (71.4%)Skin Irrit. 2 (85.7%)Eye Irrit. 2 (85.7%)STOT SE 3 (71.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1228 |
| Zollcode | 2930909899 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | T |
| hazard_note | Toxic/Stench |
Anwendungen & Verwendung
Verwenden
4-Fluorobenzyl mercaptan may be used in the synthesis of the degradation products of fluorapacin, namely bis(4-fluorobenzyl)disulfide and bis(4-fluorobenzyl)tetrasulfide.