2-Fluoro-4-(trifluoromethyl)phenylacetic acid supplier

Name
2-Fluoro-4-(trifluoromethyl)phenylacetic acid
EINECS
CAS No. 209991-64-0
Density 1.436 g/cm³
Solubility
Melting Point 78-81℃
Formula C₉H₆F₄O₂
Boiling Point 255.7 °C at 760 mmHg
Molecular Weight 222.139
Flash Point 108.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-;
PSA 37.30000
LogP 2.47160

2-Fluoro-4-(trifluoromethyl)phenylacetic acid Specification

The 2-Fluoro-4-(trifluoromethyl)phenylacetic acid, with the CAS registry number 209991-64-0, is also known as Benzeneacetic acid, 2-fluoro-4-(trifluoromethyl)-. It belongs to the product category of Phenylacetic acid. This chemical's molecular formula is C₉H₆F₄O₂ and molecular weight is 222.14. What's more, its systematic name is [2-Fluoro-4-(trifluoromethyl)phenyl]acetic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Fluoro-4-(trifluoromethyl)phenylacetic acid are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.72; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 42.34 cm³; (15)Molar Volume: 154.5 cm³; (16)Polarizability: 16.78×10^-24 cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.436 g/cm³; (19)Flash Point: 108.5 °C; (20)Enthalpy of Vaporization: 52.11 kJ/mol; (21)Boiling Point: 255.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00827 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(ccc1CC(=O)O)C(F)(F)F
(2) InChI: InChI=1/C9H6F4O2/c10-7-4-6(9(11,12)13)2-1-5(7)3-8(14)15/h1-2,4H,3H2,(H,14,15)
(3) InChIKey: LUIOBGWYVHPKRC-UHFFFAOYAR

Product Name

2-Fluoro-4-(trifluoromethyl)phenylacetic acid

2-Fluoro-4-(trifluoromethyl)phenylacetic acid Specification

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