Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | Xn,Xi | |
Synonyms |
(6-Fluoro-2-trifluoromethylphenyl)aceticacid;2-Fluoro-6-(trifluoromethyl)benzeneacetic acid;2-Fluoro-6-(trifluoromethyl)phenylaceticacid; |
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