Basic information
- Name:
3,3,3-Trifluoropropionic acid
- CAS No.:
2516-99-6
- Molecular Structure:
- Formula:
- C3H3F3O2
- Molecular Weight:
- 128.05
- Synonyms:
- Propionicacid, 3,3,3-trifluoro- (7CI,8CI);3,3,3-Trifluoropropanoic acid;b,b,b-Trifluoropropionic acid;
- Density:
- 1.437 g/cm3
- Melting Point:
- 9.7 °C(lit.)
- Boiling Point:
- 128 °C at 760 mmHg
- Flash Point:
- 31.2 °C
- Appearance:
- Clear colorless liquid
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45 Details
- Transport Information:
- UN 3265 8/PG 2
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Chemistry
IUPAC Name: 3,3,3-Trifluoropropanoate
CAS: 2516-99-6
Molecular Formula: C3H3F3O2
Molecular Weight: 128.05
Molecular structure:
Melting point: 9.7 °C(lit.)
BRN: 1751796
ACD/LogD (pH 5.5): -1.31
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 1
Index of Refraction: 1.325
Molar Refractivity: 17.96 cm3
Molar Volume: 89 cm3
Polarizability: 7.12 10-24cm3
Surface Tension: 23.8 dyne/cm
Density: 1.437 g/cm3
Flash Point: 31.2 °C
Enthalpy of Vaporization: 40.36 kJ/mol
Boiling Point: 128 °C at 760 mmHg
Vapour Pressure: 6.63 mmHg at 25°C
Product Categories: Fluorochemicals; C1 to C5; Carbonyl Compounds; Carboxylic Acids
Safety Profile
Hazard Codes: C.gif){kind=small}
Risk Statements: 34 (34: Causes burns)
Safety Statements: 26-36/37/39-45 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 36/37/39: Wear suitable protective clothing, gloves and eye/face protection 45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible))
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
Specification
3,3,3-Trifluoropropionic acid , with CAS number of 2516-99-6, can be called 3,3,3-Trifluoropropionic acid 98% ; 3,3,3-Trifluoropropanoicacid ; Trifluoromethylacetic acid ; propanoic acid, 3,3,3-trifluoro- . It is usually colorless clear liquid. 3,3,3-Trifluoropropionic acid (CAS NO.2516-99-6) is commonly used as pharmaceutical intermediate.
