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4,4,4-Trifluoro-2-buten-1-ol

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Name

4,4,4-Trifluoro-2-buten-1-ol

EINECS N/A
CAS No. 674-53-3 Density 1.235 g/cm3
PSA 20.23000 LogP 1.09720
Solubility N/A Melting Point 118-119 °C
Formula C4H5F3O Boiling Point 95.9 °C at 760 mmHg
Molecular Weight 126.078 Flash Point 51 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 674-53-3 (4,4,4-TRIFLUOROBUT-2-EN-1-OL) Hazard Symbols IrritantXi,FlammableF
Synonyms

1-Trifluoromethylprop-1-en-3-ol;4,4,4-Trifluoro-2-buten-1-ol;4,4,4-Trifluorocrotyl alcohol;

Article Data 6

4,4,4-Trifluoro-2-buten-1-ol 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

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