3-Trifluoromethylbutyric acid supplier

Name
3-Trifluoromethylbutyric acid
EINECS
CAS No. 348-75-4
Article Data7
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point
Formula C₅H₇F₃O₂
Boiling Point 161.7 °C at 760 mmHg
Molecular Weight 156.105
Flash Point 51.6 °C
Transport Information UN3265
Appearance Clear to pale yellow liquid.
Safety 26-36/37/39-45
Risk Codes 34
Molecular Structure
Hazard Symbols
Synonyms Butyricacid, 4,4,4-trifluoro-3-methyl- (7CI,8CI);3-(Trifluoromethyl)butyric acid;3-Methyl-4,4,4-trifluorobutyric acid;3-Trifluoromethylbutanoic acid;4,4,4-Trifluoro-3-methylbutanoic acid;4,4,4-Trifluoro-3-methylbutyric acid;
PSA 37.30000
LogP 1.65950

3-Trifluoromethylbutyric acid Specification

The 3-Trifluoromethylbutyric acid with the cas number 348-75-4 is also called Butanoic acid,4,4,4-trifluoro-3-methyl-. Both the systematic name and IUPAC name are 4,4,4-trifluoro-3-methylbutanoic acid. Its molecular formula is C₅H₇F₃O₂. This chemical is clear to pale yellow liquid.

The properties of the chemical are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.362; (14)Molar Refractivity: 27.19 cm³; (15)Molar Volume: 122.4 cm³; (16)Polarizability: 10.78×10^-24cm³; (17)Surface Tension: 25 dyne/cm; (18)Enthalpy of Vaporization: 43.92 kJ/mol; (19)Vapour Pressure: 1.16 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Finally, in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(C)CC(=O)O
(2)InChI: InChI=1/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)
(3)InChIKey: FFZMMBKGTNDVRX-UHFFFAOYAF

Product Name

3-Trifluoromethylbutyric acid

3-Trifluoromethylbutyric acid Specification

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