Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzoic acid,2-fluoro-3-(trifluoromethyl)-, methyl ester

Related Products

Hot Products

Name

Benzoic acid,2-fluoro-3-(trifluoromethyl)-, methyl ester

EINECS 200-258-5
CAS No. 178748-05-5 Density 1.437 g/cm3
PSA 37.30000 LogP 2.47160
Solubility N/A Melting Point 113-116 °C(lit.)
Formula C9H6F4O2 Boiling Point 258.333 °C at 760 mmHg
Molecular Weight 222.139 Flash Point 110.036 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 178748-05-5 (2-FLUORO-3-(TRIFLUOROMETHYL)PHENYLACETIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Fluoro-3-trifluoromethylbenzoicacid methyl ester;2-[2-fluoro-3-(trifluoromethyl)phenyl]acetic acid;2-Fluoro-3-(trifluoromethyl)benzeneacetic acid;2-Fluoro-3-(trifluoromethyl)phenylacetic acid;Benzeneacetic acid, 2-fluoro-3-(trifluoromethyl)-;

Article Data 4

Benzoic acid,2-fluoro-3-(trifluoromethyl)-, methyl ester Specification

The Benzoic acid,2-fluoro-3-(trifluoromethyl)-, methyl ester, with the CAS registry number 178748-05-5, has the systematic name and IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]acetic acid. And the molecular formula of the chemical is C9H6F4O2.

The characteristics of Benzoic acid,2-fluoro-3-(trifluoromethyl)-, methyl ester are as followings: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 1.744; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.675; (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: 37.3 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 42.34 cm3; (15)Molar Volume: 154.597 cm3; (16)Polarizability: 16.785×10-24cm3; (17)Surface Tension: 32.809 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 110.036 °C; (20)Enthalpy of Vaporization: 52.397 kJ/mol; (21)Boiling Point: 258.333 °C at 760 mmHg; (22)Vapour Pressure: 0.007 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(c(c(c1)C(F)(F)F)F)CC(=O)O
(2)InChI: InChI=1/C9H6F4O2/c10-8-5(4-7(14)15)2-1-3-6(8)9(11,12)13/h1-3H,4H2,(H,14,15)
(3)InChIKey: IZXLNEHPKQVCAE-UHFFFAOYAK 

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 178748-05-5