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The 2-(Trifluoromethyl)cinnamic acid is an organic compound with the formula C10H7F3O2. The IUPAC name of this chemical is (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoic acid. With the CAS registry number 2062-25-1, it is also named as 2-propenoic acid, 3-[2-(trifluoromethyl)phenyl]-. The product's categories are C10; Carbonyl Compounds; Carboxylic Acids.
Physical properties about 2-(Trifluoromethyl)cinnamic acid are: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): -0.1; (4)ACD/BCF (pH 5.5): 2.64; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 48.68 cm3; (14)Molar Volume: 158.5 cm3; (15)Polarizability: 19.3×10-24cm3; (16)Surface Tension: 36.3 dyne/cm; (17)Density: 1.363 g/cm3; (18)Flash Point: 121.3 °C; (19)Enthalpy of Vaporization: 54.44 kJ/mol; (20)Boiling Point: 276.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00225 mmHg at 25°C.
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 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)c1ccccc1C=CC(=O)O
(2)InChI: InChI=1/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)
(3)InChIKey: AMVYAIXPAGBXOM-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H7F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)
(5)Std. InChIKey: AMVYAIXPAGBXOM-UHFFFAOYSA-N