3,5-Bis(trifluoromethyl)phenyl acetic acid methyl ester supplier

Name
methyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate
EINECS
CAS No. 95299-16-4
Article Data12
CAS DataBase
Density 1.368 g/cm³
Solubility
Melting Point
Formula C₁₁H₈F₆O₂
Boiling Point 199.074 °C at 760 mmHg
Molecular Weight 286.174
Flash Point 53.261 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms methyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate;
PSA 26.30000
LogP 3.43970

3,5-Bis(trifluoromethyl)phenyl acetic acid methyl ester Specification

The CAS register number of 3,5-Bis(trifluoromethyl)phenyl acetic acid methyl ester is 95299-16-4. It also can be called as methyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate and the systematic name about this chemical is methyl [3,5-bis(trifluoromethyl)phenyl]acetate. The molecular formula about this chemical is C₁₁H₈F₆O₂ and the molecular weight is 286.17.

Physical properties about 3,5-Bis(trifluoromethyl)phenyl acetic acid methyl ester are: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 222; (5)ACD/BCF (pH 7.4): 222; (6)ACD/KOC (pH 5.5): 1663; (7)ACD/KOC (pH 7.4): 1663; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3Å²; (11)Index of Refraction: 1.413; (12)Molar Refractivity: 52.17 cm³; (13)Molar Volume: 209.261 cm³; (14)Polarizability: 20.682x10^-24cm³; (15)Surface Tension: 23.923 dyne/cm; (16)Enthalpy of Vaporization: 43.528 kJ/mol; (17)Boiling Point: 199.074 °C at 760 mmHg; (18)Vapour Pressure: 0.348 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)CC(=O)OC
(2)InChI: InChI=1/C11H8F6O2/c1-19-9(18)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3
(3)InChIKey: URDXSDHDNSBKHI-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C11H8F6O2/c1-19-9(18)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3
(5)Std. InChIKey: URDXSDHDNSBKHI-UHFFFAOYSA-N

Product Name

methyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate

3,5-Bis(trifluoromethyl)phenyl acetic acid methyl ester Specification

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