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382-90-1

Basic Information
CAS No.: 382-90-1
Name: Methyl 2-(trifluoromethyl)acrylate
Article Data: 5
Molecular Structure:
Molecular Structure of 382-90-1 (Methyl 2-(trifluoromethyl)acrylate)
Formula: C5H5F3O2
Molecular Weight: 154.089
Synonyms: Methyl-2(trifluoromethyl)acrylate;Acrylicacid, 2-(trifluoromethyl)-, methyl ester (8CI);Methyl2-(trifluoromethyl)acrylate;Methyl a-(trifluoromethyl)acrylate;
Density: 1.224 g/cm3
Melting Point: 48-52oC
Boiling Point: 114.9 °C at 760 mmHg
Flash Point: 24.8 °C
Hazard Symbols: FlammableF
Risk Codes: 10-36/37/38
Safety: 26-36/37/39
PSA: 26.30000
LogP: 1.27790
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Specification

The 2-Propenoicacid, 2-(trifluoromethyl)-, methyl ester, with the CAS registry number 382-90-1, is also known as Methyl (2-trifluoromethyl)acrylate. It belongs to the product category of monomer. This chemical's molecular formula is C5H5F3O2 and molecular weight is 154.09. What's more, its systematic name is methyl 2-(trifluoromethyl)prop-2-enoate

Physical properties of 2-Propenoicacid, 2-(trifluoromethyl)-, methyl ester are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.73; (6)ACD/BCF (pH 7.4): 61.73; (7)ACD/KOC (pH 5.5): 665.66; (8)ACD/KOC (pH 7.4): 665.66; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.349; (14)Molar Refractivity: 27.01 cm3; (15)Molar Volume: 125.8 cm3; (16)Polarizability: 10.7×10-24 cm3; (17)Surface Tension: 19.5 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 24.8 °C; (20)Enthalpy of Vaporization: 35.33 kJ/mol; (21)Boiling Point: 114.9 °C at 760 mmHg; (22)Vapour Pressure: 19.5 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(F)C(=C)\C(=O)OC
(2)InChI: InChI=1/C5H5F3O2/c1-3(4(9)10-2)5(6,7)8/h1H2,2H3
(3)InChIKey: GTRBXMICTQNNIN-UHFFFAOYAD