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CAS No.: | 302912-02-3 |
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Name: | 2,5-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID |
Molecular Structure: | |
Formula: | C10H6F6O2 |
Molecular Weight: | 272.147 |
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)-; |
Density: | 1.479 g/cm3 |
Melting Point: | 95-98 °C(lit.) |
Boiling Point: | 250.3 °C at 760 mmHg |
Flash Point: | 105.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 37.30000 |
LogP: | 3.35130 |
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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