1,1,1-Trifluorobutan-2-one
Grundinformationen
- CAS
381-88-4- Standard-SMILES
CCC(=O)C(F)(F)F- InChIKey
QBVHMPFSDVNFAY-UHFFFAOYSA-N- Summenformel
- C4H5F3O
- Durchschnittliche Molmasse
- 126,08 g/mol
- Monoisotopische Masse
- 126,02924926
Namen und Bezeichner
- Bevorzugter Name
- 1,1,1-Trifluorobutan-2-one
- IUPAC
- 1,1,1-trifluorobutan-2-one
- Englischer Name
- 1,1,1-TRIFLUORO-2-BUTANONE
- Summenformel
- C4H5F3O
- Molmasse
- 126.08
Namen und Synonyme
1,1,1-trifluorobutan-2-oneDTXSID10959050RefChem:409497DTXCID801386942628-325-91,1,1-Trifluoro-2-butanone381-88-42-Butanone, 1,1,1-trifluoro-1,1,1-trifluorobutane-2-oneethyl trifluoromethyl ketoneMFCD00190641trifluoro-2-butanone
Weitere Namen anzeigen
uoro-2-butanoneTrifluorobutanoneTrifluorobutanone11,1,1-TrifluorobutaTrifluoro ethyl ketone1,1,1-TRIFLURO-2-BUTANONE1,1,1-TRIFLUOUO-2-BUTANONE
trifluoromethylethylketoneUNII-DU2S3EQD9UNSC-42602DU2S3EQD9Utrifluoromethyl ethyl ketone2-Butanone,1,1-trifluoro-AKOS005063654AB89679
Datenbank-Bezeichner
- CAS
381-88-4- PubChem CID
- 238288
- DTXSID
DTXSID10959050- UNII
- DU2S3EQD9U
- EC Number
- 628-325-9
- Nikkaji
- J100.598G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 93
Physikochemische Eigenschaften
- Siedepunkt
- 50 · 50-51 °C (lit.)
- Dichte
- 0.929 g/mL · 0.929 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.322(lit.)
- Flammpunkt
- 1 °F · 1 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- soluble in Chloroform, Methanol
- Aggregatzustand
- liquid
- Farbe
- Clear, colourless
- BRN
- 1702220 · 1702220
- Stabilität
- Volatile
- InChI
- InChI=1S/C4H5F3O/c1-2-3(8)4(5,6)7/h2H2,1H3
- InChIKey
- QBVHMPFSDVNFAY-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(=O)CC
- CAS Datenbank
- 381 · 381-88-4(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Butanone, 1,1,1-trifluoro- (381-88-4)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (97.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (14.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)；Skin Irrit. 2 (14.9%)；Eye Irrit. 2A (14.9%)；STOT SE 3 (14.9%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29147000
- risk_code
- 11
- hazard_code
- F,Xi
- hazard_note
- Flammable
- safety_code
- 9-16-29-33
Chemie und Industrie
Anwendungen
Verwenden1,1,1-Trifluoro-2-butanone may be used in the synthesis of 5α,6β-dibromo-25-hydroxycholestan-3β-yl acetate. It may also be used for the in situ generation of ethyl(trifluoromethyl)dioxirane (ETDO).
Anbieter100 Anbieter
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏泰瑞特医药科技有限公司15151368970 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
济南中蓝化工有限公司15169176553; 15169176553 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…