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2,3,4,5,6-Pentafluortoluol
PENTAFLUOROTOLUENE · Pentafluoromethylbenzene · pentafluoromethyl-benzen · METHYL PENTAFLUOROBENZENE · benzene,pentafluoromethyl- · 2,3,4,5,6-Pentafluorotoluene · toluene,2,3,4,5,6-pentafluoro- · Toluene, 2,3,4,5,6-pentafluoro-
Identifikatoren & physikalische Daten
| CAS No. | 771-56-2 |
|---|---|
| Summenformel | C7H3F5 |
| Durchschnittliche Molmasse | 182,09 g/mol |
| Monoisotopische Masse | 182,01549091 g/mol |
| SMILES | Cc1c(F)c(F)c(F)c(F)c1F |
| InChIKey | SXPRVMIZFRCAGC-UHFFFAOYSA-N |
| PubChem CID | 69869 |
| EC No. | 212-233-7 |
| DTXSID | DTXSID0061119 |
| Lokaler Name | 2,3,4,5,6-Pentafluortoluol |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 146 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | −30 °C(lit.) |
| Siedepunkt | 117 °C(lit.) |
| Dichte | 1.439 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.403(lit.) |
| Flammpunkt | 94 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.439 |
| Löslichkeit | It is soluble in most common organic solvents and insoluble in water. |
| Spezifische Wärmekapazität | Cp(liquid): 1.24 J/(g·K), at 25℃ |
| BRN | 1911885 |
| Dielektrizitätskonstante | 1.9299999999999999 |
| InChI | 1S/C7H3F5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3 |
| InChIKey | SXPRVMIZFRCAGC-UHFFFAOYSA-N |
| SMILES | Cc1c(F)c(F)c(F)c(F)c1F |
| CAS Datenbank | 771-56-2(CAS DataBase Reference) |
| EPA chemische Informationen | Pentafluoromethylbenzene (771-56-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29039990 |
| R-Sätze (R) | 10-20/21/22-36/37/38 |
| Gefahrensymbole | Xn,F,Xi |
| hazard_note | Flammable/Irritant |
| Sicherheitshinweise (S) | 16-26-36 |
| Gefahrenklasse | 3.2Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,3,4,5,6-Pentafluorotoluene, can be used as an organic fluorinated building blocks for chemical synthesis. It is also used as an pharmaceutical intermediate.