2-Butanol,4,4,4-trifluoro- supplier

Name
4,4,4-TRIFLUORO-2-BUTANOL
EINECS
CAS No. 101054-93-7
Article Data5
CAS DataBase
Density 1.177 g/cm³
Solubility
Melting Point
Formula C₄H₇F₃O
Boiling Point 104.047 °C at 760 mmHg
Molecular Weight 128.094
Flash Point 54.35 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanol,1-trifluoro- (3CI);
PSA 20.23000
LogP 1.31960

2-Butanol,4,4,4-trifluoro- Specification

The 2-Butanol, 4, 4, 4-trifluoro-, with the CAS registry number 101054-93-7, is also known as 4, 4, 4-Trifluoro-butan-2-ol. This chemical's molecular formula is C₄H₇F₃O and molecular weight is 128.09. What's more, its systematic name is 4, 4, 4-Trifluorobutan-2-ol.

Physical properties about 2-Butanol, 4, 4, 4-trifluoro- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 45; (8)ACD/KOC (pH 7.4): 45; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.335; (14)Molar Refractivity: 22.531 cm³; (15)Molar Volume: 108.837 cm³; (16)Polarizability: 8.932×10^-24 cm³; (17)Surface Tension: 19.608 dyne/cm; (18)Density: 1.177 g/cm³; (19)Flash Point: 54.35 °C; (20)Enthalpy of Vaporization: 39.996 kJ/mol; (21)Boiling Point: 104.047 °C at 760 mmHg; (22)Vapour Pressure: 17.289 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)CC(O)C
(2) InChI: InChI=1/C4H7F3O/c1-3(8)2-4(5,6)7/h3,8H,2H2,1H3
(3) InChIKey: MZYWEUWEIXJBPQ-UHFFFAOYAK

Product Name

4,4,4-TRIFLUORO-2-BUTANOL

2-Butanol,4,4,4-trifluoro- Specification

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