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

Name
2,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID
EINECS
CAS No. 302912-02-3
Density 1.479 g/cm³
Solubility
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
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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)-;
PSA 37.30000
LogP 3.35130

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

Product Name

2,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID

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

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