Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Fluoro-4-(trifluoromethyl)phenylacetic acid |
EINECS | N/A |
CAS No. | 238754-67-1 | Density | 1.437 g/cm3 |
PSA | 37.30000 | LogP | 2.47160 |
Solubility | N/A | Melting Point |
88-90 °C |
Formula | C9H6F4O2 | Boiling Point | 266.6 °C at 760 mmHg |
Molecular Weight | 222.139 | Flash Point | 115.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-FLUORO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID;RARECHEM AL BO 0856;3-Fluoro-4-(trifluoromethyl)phenylaceticacid98%;Jrd-0588;4-(Carboxymethyl)-2-fluorobenzotrifluoride;4-TrifloroMethyl-3-fluoro phenyl acetic acid;2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetic acid |
Article Data | 1 |
The Benzeneacetic acid,3-fluoro-4-(trifluoromethyl)-, with the CAS registry number 238754-67-1, is also known as 3-Fluoro-4-(trifluoromethyl)phenylacetic acid. It belongs to the product category of Phenylacetic Acid. This chemical's molecular formula is C9H6F4O2 and molecular weight is 222.136353. Its IUPAC name is called 2-[3-fluoro-4-(trifluoromethyl)phenyl]acetic acid.
Physical properties of Benzeneacetic acid,3-fluoro-4-(trifluoromethyl)-: (1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): -1.13; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 15.3; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.451; (12)Molar Refractivity: 39.67 cm3; (13)Molar Volume: 147.1 cm3; (14)Surface Tension: 27.6 dyne/cm; (15)Density: 1.312 g/cm3; (16)Flash Point: 77.9 °C; (17)Enthalpy of Vaporization: 42.12 kJ/mol; (18)Boiling Point: 184.9 °C at 760 mmHg; (19)Vapour Pressure: 0.715 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=C1CC(=O)O)F)C(F)(F)F
(2)InChI: InChI=1S/C9H6F4O2/c10-7-3-5(4-8(14)15)1-2-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
(3)InChIKey: ZFOWDXKJQNNLMW-UHFFFAOYSA-N