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| CAS No.: | 195447-79-1 |
|---|---|
| Name: | 3-FLUORO-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID 98 |
| Molecular Structure: | |
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| Formula: | C9H6F4O2 |
| Molecular Weight: | 222.139 |
| Synonyms: | 2-[5-Fluoro-3-(trifluoromethyl)phenyl]acetic acid; |
| Density: | 1.436 g/cm3 |
| Melting Point: | 109-112℃ |
| Boiling Point: | 242.1 °C at 760 mmHg |
| Flash Point: | 100.2 °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,3-fluoro-5-(trifluoromethyl)-, with the CAS registry number 195447-79-1, is also known as 2-[5-Fluoro-3-(trifluoromethyl)phenyl]acetic acid. It belongs to the product category of Phenylacetic Acid. This chemical's molecular formula is C9H6F4O2 and molecular weight is 222.1364. Its systematic name is called [3-fluoro-5-(trifluoromethyl)phenyl]acetic acid. The product should be sealed and stored in cool and dry place.
Physical properties of Benzeneacetic acid,3-fluoro-5-(trifluoromethyl)-: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 0.4; (3)ACD/LogD (pH 7.4): -1.31; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.64; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 42.34 cm3; (13)Molar Volume: 154.5 cm3; (14)Surface Tension: 32.8 dyne/cm; (15)Density: 1.436 g/cm3; (16)Flash Point: 100.2 °C; (17)Enthalpy of Vaporization: 50.62 kJ/mol; (18)Boiling Point: 242.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0187 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)SMILES: FC(F)(F)c1cc(cc(F)c1)CC(=O)O
(2)InChI: InChI=1/C9H6F4O2/c10-7-2-5(3-8(14)15)1-6(4-7)9(11,12)13/h1-2,4H,3H2,(H,14,15)
(3)InChIKey: LQIBHDUPSIQRPV-UHFFFAOYAV