HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 328870Erstellt: 27. Oktober 2026
4-Penten-2-ol, 1,1,1-trifluoro-2-(trifluoromethyl)-
BTHB · ALLYLHEXAFLUOROISO-PROPANOL · 2-ALLYLHEXAFLUOROISOPROPANOL · 2-Allylhexafluoroisopropanol99% · 2-Allylhexafluoroisopropanol97% · 2-Allylhexafluoroisopropanol 97% · 1,1-Bis(trifluoromethyl)-3-butene-1-ol · Allyl hexafluoroisopropanol (Allyl-HFIP)
https://huagongshe.com/de/chemical/328870
Identifikatoren & physikalische Daten
| CAS No. | 646-97-9 |
|---|
| Summenformel | C6H6F6O |
|---|
| Durchschnittliche Molmasse | 208,1 g/mol |
|---|
| Monoisotopische Masse | 208,03228413 g/mol |
|---|
| SMILES | C=CCC(O)(C(F)(F)F)C(F)(F)F |
|---|
| InChIKey | VHSCQANAKTXZTG-UHFFFAOYSA-N |
|---|
| PubChem CID | 328870 |
|---|
| EC No. | 613-651-6 |
|---|
| DTXSID | DTXSID40316970 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|
| Polarare Oberfläche (TPSA) | 20,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 7 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 13 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 176 |
|---|
| Siedepunkt | 97 °C |
|---|
| Dichte | 1.36g/ml |
|---|
| Brechungsindex | 1.3320 to 1.3360 |
|---|
| Flammpunkt | 45° |
|---|
| pKa (Säurekonstante) | 9.62±0.29(Predicted) |
|---|
| Aggregatzustand | clear liquid |
|---|
| Farbe | Colorless to Light yellow |
|---|
| InChI | InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2 |
|---|
| InChIKey | VHSCQANAKTXZTG-UHFFFAOYSA-N |
|---|
| SMILES | C(F)(F)(F)C(C(F)(F)F)(O)CC=C |
|---|
| CAS Datenbank | 646-97-9(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (96.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 88 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. 2 (96.6%) |
|---|
| UN-Transportnummer | 1987 |
|---|
| Zollcode | 2905190098 |
|---|
| R-Sätze (R) | 10-36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| hazard_note | Irritant |
|---|
| Sicherheitshinweise (S) | 16-26-36 |
|---|
| Gefahrenklasse | IRRITANT, LACHRYMATOR |
|---|
| Verpackungsgruppe | III |
|---|
