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Benzeneacetic acid, 2-fluoro-6-(trifluoromethyl)-

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Name

Benzeneacetic acid, 2-fluoro-6-(trifluoromethyl)-

EINECS N/A
CAS No. 179946-32-8 Density 1.436 g/cm3
PSA 37.30000 LogP 2.47160
Solubility N/A Melting Point 86-89 °C(lit.)
Formula C9H6F4O2 Boiling Point 243 °C at 760 mmHg
Molecular Weight 222.139 Flash Point 100.8 °C
Transport Information N/A Appearance N/A
Safety 36 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 179946-32-8 (2-FLUORO-6-(TRIFLUOROMETHYL)PHENYLACETIC ACID) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

(6-Fluoro-2-trifluoromethylphenyl)aceticacid;2-Fluoro-6-(trifluoromethyl)benzeneacetic acid;2-Fluoro-6-(trifluoromethyl)phenylaceticacid;

 

Benzeneacetic acid, 2-fluoro-6-(trifluoromethyl)- Specification

This chemical is called Benzeneacetic acid, 2-fluoro-6-(trifluoromethyl)-, and its systematic name is  [2-fluoro-6-(trifluoromethyl)phenyl]acetic acid. With the molecular formula of C9H6F4O2, its molecular weight is 222.14. The CAS registry number of this chemical is 179946-32-8. Additionally, its product categories are Phenylacetic Acid; C9; Carbonyl Compounds; Carboxylic Acids. 

Other characteristics of the Benzeneacetic acid, 2-fluoro-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): -1.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.57; (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: 16.78×10-24cm3; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.436 g/cm3; (19)Flash Point: 100.8 °C; (20)Enthalpy of Vaporization: 50.73 kJ/mol; (21)Boiling Point: 243 °C at 760 mmHg; (22)Vapour Pressure: 0.0177 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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: Fc1cccc(c1CC(=O)O)C(F)(F)F
2.InChI: InChI=1/C9H6F4O2/c10-7-3-1-2-6(9(11,12)13)5(7)4-8(14)15/h1-3H,4H2,(H,14,15)
3.InChIKey: ZVXIGDPHHXXMMF-UHFFFAOYAT

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