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Benzeneacetic acid,2,5-bis(trifluoromethyl)-

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Name

Benzeneacetic acid,2,5-bis(trifluoromethyl)-

EINECS N/A
CAS No. 302912-02-3 Density 1.479 g/cm3
PSA 37.30000 LogP 3.35130
Solubility N/A Melting Point 95-98 °C(lit.)
Formula C10H6F6O2 Boiling Point 250.3 °C at 760 mmHg
Molecular Weight 272.147 Flash Point 105.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 302912-02-3 (2,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID) Hazard Symbols IrritantXi
Synonyms

2,5-Bis(trifluoromethyl)phenylaceticacid;[2,5-bis(trifluoromethyl)phenyl]acetic acid;2-[2,5-Bis(trifluoromethyl)phenyl]acetic acid;Benzeneacetic acid, 2,5-bis(trifluoromethyl)-;

 

Benzeneacetic acid,2,5-bis(trifluoromethyl)- Specification

The Benzeneacetic acid,2,5-bis(trifluoromethyl)-, with the CAS registry number 302912-02-3, has the systematic name of [2,5-bis(trifluoromethyl)phenyl]acetic acid. And the molecular formula of this chemical is C10H6F6O2. It belongs to the following product categories: C10; Carbonyl Compounds; Carboxylic Acids.

The physical properties of Benzeneacetic acid,2,5-bis(trifluoromethyl)- are as following: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.54; (4)ACD/LogD (pH 7.4): -0.17; (5)ACD/BCF (pH 5.5): 3.65; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.32; (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: 1.428; (14)Molar Refractivity: 47.32 cm3; (15)Molar Volume: 183.8 cm3; (16)Polarizability: 18.76×10-24cm3; (17)Surface Tension: 27.2 dyne/cm; (18)Density: 1.479 g/cm3; (19)Flash Point: 105.2 °C; (20)Enthalpy of Vaporization: 51.52 kJ/mol; (21)Boiling Point: 250.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0115 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting 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)c1ccc(cc1CC(=O)O)C(F)(F)F
(2)InChI: InChI=1/C10H6F6O2/c11-9(12,13)6-1-2-7(10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)
(3)InChIKey: AWTNYFICBCCTBY-UHFFFAOYAV

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