CAS No.406-95-1,2,2,2-TRIFLUOROETHYL ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	406-95-1
Name:	2,2,2-TRIFLUOROETHYL ACETATE
Article Data:	15

Formula:	C₄H₅F₃O₂
Molecular Weight:	142.078
Synonyms:	Ethanol,2,2,2-trifluoro-, acetate (6CI,7CI,8CI,9CI);2,2,2-Trifluoroethyl acetate;Trifluoroethyl acetate;
EINECS:	-0
Density:	1.241 g/cm³
Boiling Point:	44.7 °C at 760 mmHg
Flash Point:	11 °C
Solubility:	Soluble in water (16 g/L) (25°C)
Hazard Symbols:	F
Risk Codes:	11
Safety:	16-23-24
PSA:	26.30000
LogP:	1.11180

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Specification

The CAS register number of Acetic acid, 2,2,2-trifluoroethyl ester is 406-95-1. It also can be called as Ethanol,2,2,2-trifluoro-, 1-acetate and the IUPAC name about this chemical is 2,2,2-trifluoroethyl acetate. The molecular formula about this chemical is C₄H₅F₃O₂ and the molecular weight is 142.08.

Physical properties about Acetic acid, 2,2,2-trifluoroethyl ester are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.18; (3)ACD/LogD (pH 7.4): 1.18; (4)ACD/BCF (pH 5.5): 4.64; (5)ACD/BCF (pH 7.4): 4.64; (6)ACD/KOC (pH 5.5): 104.45; (7)ACD/KOC (pH 7.4): 104.45; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.321; (12)Molar Refractivity: 22.81 cm³; (13)Molar Volume: 114.4 cm³; (14)Polarizability: 9.04x10^-24cm³; (15)Surface Tension: 19.2 dyne/cm; (16)Enthalpy of Vaporization: 28.88 kJ/mol; (17)Boiling Point: 44.7 °C at 760 mmHg; (18)Vapour Pressure: 358 mmHg at 25°C.

Uses of Acetic acid, 2,2,2-trifluoroethyl ester: it can be used to produce methyl 3-O-acetyl-2-deoxy-beta-D-ribofuranoside and methyl 5-O-acetyl-2-deoxy-D-ribofuranoside with methyl-(xi-D-erythro-2-deoxy-pentofuranoside) at temperature of 37 °C. This reaction is a kind of Bromination. It will need porcine pancreatic lipase (type II) with reaction time of 18 hours. The yield is about 17%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable. If you want to use this chemical, please avoid contact with skin and eyes and keep away from sources of ignition. When you are using it, please do not breathe vapour.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COC(=O)C
(2)InChI: InChI=1/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
(3)InChIKey: ZOWSJJBOQDKOHI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H5F3O2/c1-3(8)9-2-4(5,6)7/h2H2,1H3
(5)Std. InChIKey: ZOWSJJBOQDKOHI-UHFFFAOYSA-N