Name: 4,4,4-TRIFLUOROBUT-2-EN-1-OL
SKU: 674-53-3

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Basic Information

Molecular Structure:
CAS No.:	674-53-3
Name:	4,4,4-TRIFLUOROBUT-2-EN-1-OL
Article Data:	6

Formula:	C₄H₅F₃O
Molecular Weight:	126.078
Synonyms:	1-Trifluoromethylprop-1-en-3-ol;4,4,4-Trifluoro-2-buten-1-ol;4,4,4-Trifluorocrotyl alcohol;
Density:	1.235 g/cm³
Melting Point:	118-119 °C
Boiling Point:	95.9 °C at 760 mmHg
Flash Point:	51 °C
Hazard Symbols:	Xi,F
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	1.09720

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Specification

The CAS register number of 4,4,4-Trifluoro-2-buten-1-ol is 674-53-3. It also can be called as 2-Buten-1-ol,4,4,4-trifluoro- and the systematic name about this chemical is (2E)-4,4,4-trifluorobut-2-en-1-ol. The molecular formula about this chemical is C₄H₅F₃O and molecular weight is 126.08.

Physical properties about 4,4,4-Trifluoro-2-buten-1-ol are: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): 0.46; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1.31; (5)ACD/BCF (pH 7.4): 1.31; (6)ACD/KOC (pH 5.5): 42.22; (7)ACD/KOC (pH 7.4): 42.22; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 20.23Å²; (12)Index of Refraction: 1.361; (13)Molar Refractivity: 22.63 cm³; (14)Molar Volume: 102 cm³; (15)Polarizability: 8.97x10^-24cm³; (16)Surface Tension: 21.1 dyne/cm; (17)Enthalpy of Vaporization: 39.12 kJ/mol; (18)Boiling Point: 95.9 °C at 760 mmHg; (19)Vapour Pressure: 26.1 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,4,4-trifluoro-but-2-enoic acid ethyl ester. This reaction will need reagent LiAlH₄, AlCl₃ and solvent diethyl ether. The reaction time is 30 min with reaction temperature of 0 °C. The yield is about 87%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)/C=C/CO
(2)InChI: InChI=1/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2/b2-1+
(3)InChIKey: UUTWQLLIVDODPQ-OWOJBTEDBX
(4)Std. InChI: InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h1-2,8H,3H2/b2-1+
(5)Std. InChIKey: UUTWQLLIVDODPQ-OWOJBTEDSA-N