Grundinformationen
- Standard-SMILES
CC(O)C(F)(F)F- InChIKey
GILIYJDBJZWGBG-UHFFFAOYSA-N- Summenformel
- C3H5F3O
- Durchschnittliche Molmasse
- 114,07 g/mol
- Monoisotopische Masse
- 114,02924944
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,1,1-Trifluoro-2-propanol
- IUPAC
- 1,1,1-trifluoropropan-2-ol
- Lokaler Name
- 1,1,1-Trifluorpropan-2-ol
- Englischer Name
- 1,1,1-Trifluoro-2-propanol
- Summenformel
- C3H5F3O
- Molmasse
- 114.07
Namen und Synonyme
374-01-61,1,1-TRIFLUORO-2-PROPANOL2-Propanol, 1,1,1-trifluoro-DTXSID20870520RefChem:478404DTXCID90818237206-773-21,1,1-Trifluoropropan-2-ol1,1,1-trifluoro-propan-2-ol1,1,1-TrifluoroisopropanolMFCD000144031-Methyl-2,2,2-trifluoroethanol
Weitere Namen anzeigen
Cediranib Impurity 21,1,1-TRIFLUOROPROPANOL-21,1,1-trifluoro-2-propano2-propanol,1,1,1-trifluoro-1,1,1-Trifluoropropan-2-ol97%1,1,1-Trifluoropropan-2-ol 97%
NSC 3637EINECS 206-773-217556-48-81,1,1,-trifluoro-2-propanolrac-1,1,1,-trifluoro-2-propanol(rac)-1,1,1-trifluoro-propan-2-ol1,1,1-Trifluoro-2-propanol, 97%SB36890
Datenbank-Bezeichner
- CAS
374-01-6- PubChem CID
- 9774
- DTXSID
DTXSID20870520- EC Number
- 206-773-2
- Nikkaji
- J213.569H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 57,7
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Alcohols
SpringerMaterials PropertiesBoiling point
LogP0.71
Vapor Pressure60.9 [mmHg]
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -52 °C · -52 °C
- Siedepunkt
- 81 · 81-82 °C(lit.)
- Dichte
- 1.259 g/mL · 1.259 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.316(lit.)
- Flammpunkt
- 65 °F · 65 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- Aggregatzustand
- liquid
- pka
- 12.53 · 12.53±0.20(Predicted)
- Farbe
- Clear
- Wasserlöslichkeit
- Fully miscible in water.
- BRN
- 1734738 · 1734738
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, I. et al. (1999)
- InChI
- InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3
- InChIKey
- GILIYJDBJZWGBG-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)C(O)C
- CAS Datenbank
- 374 · 374-01-6(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Propanol, 1,1,1-trifluoro- (374-01-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (89.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol.
Hazard Classes and CategoriesFlam. Liq. 2 (89.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 1
- hs_code
- 29055900
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26-33-36
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Propanol, 1,1,1-trifluoro-: ACTIVE
Anwendungen
Verwenden1,1,1-Trifluoro-2-propanol is used as a chemical building block.
Anbieter50 Anbieter
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