HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluorophenyl isothiocyanate
TIMTEC-BB SBB006546 · 2-Fluorphenyl isothiocyanate · O-FLUOROPHENYL ISOTHIOCYANATE · 2-FLUOROPHENYL ISOTHIOCYANATE · 2-FluorophenylIsothiocyanate>1-fluoro-2-isothiocyanato-benzen · 2-Fluorophenyl isothiocyate, 99% · 1-FLUORO-2-ISOTHIOCYANATO-BENZENE · 2-Fluorophenyl isothiocyanate 98%
Identifikatoren & physikalische Daten
| CAS No. | 38985-64-7 |
|---|---|
| Summenformel | C7H4FNS |
| Durchschnittliche Molmasse | 153,18 g/mol |
| Monoisotopische Masse | 153,00484835 g/mol |
| SMILES | Fc1ccccc1N=C=S |
| InChIKey | OAGDRIUTLPDSMJ-UHFFFAOYSA-N |
| PubChem CID | 97520 |
| EC No. | 254-237-1 |
| DTXSID | DTXSID0068153 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 44,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 154 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 24-26°C |
| Siedepunkt | 104 °C (12 mmHg) |
| Dichte | 1.248 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.6254 |
| Flammpunkt | 97°C |
| Lagerbedingungen | Refrigerator (+4°C) |
| Aggregatzustand | clear liquid |
| Wichte | 1.248 |
| Farbe | Colorless to Light yellow |
| BRN | 4176581 |
| InChI | 1S/C7H4FNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H |
| InChIKey | OAGDRIUTLPDSMJ-UHFFFAOYSA-N |
| SMILES | Fc1ccccc1N=C=S |
| CAS Datenbank | 38985-64-7(CAS DataBase Reference) |
| EPA chemische Informationen | o-Fluorophenyl isothiocyanate (38985-64-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 7 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 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2810 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38-20/21/22-36/37-34 |
| Gefahrensymbole | Xn,T,Xi,C |
| hazard_note | Irritant/Toxic |
| Sicherheitshinweise (S) | 36/37/39-26-23-45-28-27 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Fluorophenyl isothiocyanate has been used in the synthesis of acylthiosemicarbazides.