CAS No.109993-33-1,4,5,5-TRIFLUOROPENT-4-EN-1-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109993-33-1
Name:	4,5,5-TRIFLUOROPENT-4-EN-1-OL
Article Data:	6

Formula:	C₅H₇F₃O
Molecular Weight:	140.105
Synonyms:	4,5,5-Trifluoro-4-penten-1-ol;
Density:	1.185 g/cm³
Boiling Point:	149.5 °C at 760 mmHg
Flash Point:	64.4 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	1.83650

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Specification

The 4-Penten-1-ol,4,5,5-trifluoro-, with the CAS registry number 109993-33-1, has the IUPAC name 4,5,5-trifluoropent-4-en-1-ol. Its molecular formula is C₅H₇F₃O and its molecular weight is 140.1.

Other characteristics of the 4-Penten-1-ol,4,5,5-trifluoro- can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.17; (6)ACD/BCF (pH 7.4): 8.17; (7)ACD/KOC (pH 5.5): 156.56; (8)ACD/KOC (pH 7.4): 156.56; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.374; (14)Molar Refractivity: 26.98 cm³; (15)Molar Volume: 118.1 cm³; (16)Polarizability: 10.69×10^-24cm³; (17)Surface Tension: 22 dyne/cm; (18)Density: 1.185 g/cm³; (19)Flash Point: 64.4 °C; (20)Enthalpy of Vaporization: 45.01 kJ/mol; (21)Boiling Point: 149.5 °C at 760 mmHg; (22)Vapour Pressure: 1.53 mmHg at 25°C.

Production method of the 4-Penten-1-ol,4,5,5-trifluoro-: It could be obtained by the reactants of oxetane and trifluorovinyl-lithium. This reaction needs the reagent of BF₃.Et₂O. The yield is 69 %. In addition, this reaction should be taken for 15 minutes at the temperature of -100 °C.

The 4-Penten-1-ol,4,5,5-trifluoro- could be obtained by the reactants of oxetane and trifluorovinyl-lithium

Uses of the 4-Penten-1-ol,4,5,5-trifluoro-: It could react with acetyl chloride to obtain the acetic acid 4,5,5-trifluoro-pent-4-enyl ester. This reaction needs the reagent of HCl. The yield is 91 %. In addition, this reaction should be taken for 4 hours at ambient temperature.

The 4-Penten-1-ol,4,5,5-trifluoro- could react with acetyl chloride to obtain the acetic acid 4,5,5-trifluoro-pent-4-enyl ester

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: F/C(F)=C(/F)CCCO
2.InChI: InChI=1/C5H7F3O/c6-4(5(7)8)2-1-3-9/h9H,1-3H2
3.InChIKey: FQJKNDRBOYATRC-UHFFFAOYAB