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(1R)-1,7,7-Trimethyl-3-(trifluoracetyl)bicyclo[2.2.1]heptan-2-on
(+)-3-(Trifluoroacetyl)camphor · 3-Trifluoroacetyl-D-camphor · 3-Trifluoroacetyl-D-camphor98% · 3-Trifluoroacetyl-D-camphor 98% · (+)-3-(Trifluoroacetyl)camphor 98% · (1R,4R)-5-(Trifluoroacetyl)bornane-6-one · 1,7,7-Trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one · (1R)-1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one
![Molekülstruktur von (1R)-1,7,7-Trimethyl-3-(trifluoracetyl)bicyclo[2.2.1]heptan-2-on](/img/chemical/103545.png)
Identifikatoren & physikalische Daten
| CAS No. | 51800-98-7 |
|---|---|
| Summenformel | C12H15F3O2 |
| Durchschnittliche Molmasse | 248,24 g/mol |
| Monoisotopische Masse | 248,10241438 g/mol |
| SMILES | CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)F |
| InChIKey | ISLOIHOAZDSEAJ-XGLFCGLISA-N |
| PubChem CID | 103545 |
| EC No. | 257-429-3 |
| DTXSID | DTXSID70966129 |
| Lokaler Name | (1R)-1,7,7-Trimethyl-3-(trifluoracetyl)bicyclo[2.2.1]heptan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 34,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 397 |
| Siedepunkt | 100-101 °C16 mm Hg(lit.) |
| Dichte | 1.172 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.451(lit.) |
| Flammpunkt | 180 °F |
| Aggregatzustand | liquid |
| BRN | 6779716 |
| InChI | InChI=1S/C12H15F3O2/c1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15/h6-7H,4-5H2,1-3H3/t6-,7,11+/m1/s1 |
| InChIKey | ISLOIHOAZDSEAJ-XGLFCGLISA-N |
| SMILES | [C@]12(C)C(C)(C)[C@]([H])(CC1)C(C(C(F)(F)F)=O)C2=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
(+)-3-(Trifluoroacetyl)camphor is a trifluoroacetylated camphor derivative compound.