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| CAS No.: | 194943-83-4 |
|---|---|
| Name: | 2-Fluoro-3-(trifluoromethyl)phenylacetic acid |
| Molecular Structure: | |
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|
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| Formula: | C9H6F4O2 |
| Molecular Weight: | 222.14 |
| Synonyms: | 2-[2-Fluoro-3-(trifluoromethyl)phenyl]aceticacid;[2-Fluoro-3-(trifluoromethyl)phenyl]acetic acid; |
| Density: | 1.437 g/cm3 |
| Melting Point: | 113-116 °C(lit.) |
| Boiling Point: | 258.333 °C at 760 mmHg |
| Flash Point: | 110.036 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.30000 |
| LogP: | 2.47160 |
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Specification
The Benzeneacetic acid,2-fluoro-3-(trifluoromethyl)-, with the CAS registry number 194943-83-4, is also known as 2-Fluoro-3-(trifluoromethyl)benzeneacetic acid. It belongs to the product categories of Phenylacetic acid; C9; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C9H6F4O2 and molecular weight is 222.14. Its IUPAC name is called 2-[2-fluoro-3-(trifluoromethyl)phenyl]acetic acid.
Physical properties of Benzeneacetic acid,2-fluoro-3-(trifluoromethyl)-: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/BCF (pH 5.5): 1.744; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17.675; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 42.34 cm3; (12)Molar Volume: 154.597 cm3; (13)Surface Tension: 32.809 dyne/cm; (14)Density: 1.437 g/cm3; (15)Flash Point: 110.036 °C; (16)Enthalpy of Vaporization: 52.397 kJ/mol; (17)Boiling Point: 258.333 °C at 760 mmHg; (18)Vapour Pressure: 0.007 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C(=C1)C(F)(F)F)F)CC(=O)O
(2)InChI: InChI=1S/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-UHFFFAOYSA-N