m-(Trifluoromethyl)phenylacetic acid

The Benzeneacetic acid,3-(trifluoromethyl)-, with the CAS registry number 351-35-9, is also known as (m-Trifluoromethylphenyl)acetic acid. It belongs to the product categories of Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid; API intermediates. Its EINECS number is 206-511-7. This chemical's molecular formula is C₉H₇F₃O₂ and formula weight is 204.15. What's more, its IUPAC name is 2-[3-(trifluoromethyl)phenyl]acetic acid. 

Physical properties of Benzeneacetic acid,3-(trifluoromethyl)- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.61; (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: 1.475; (14)Molar Refractivity: 42.34 cm³; (15)Molar Volume: 150.3 cm³; (16)Surface Tension: 33.8 dyne/cm; (17)Density: 1.357 g/cm³; (18)Flash Point: 106.1 °C; (19)Enthalpy of Vaporization: 51.69 kJ/mol; (20)Boiling Point: 251.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0105 mmHg at 25°C.

Uses of Benzeneacetic acid,3-(trifluoromethyl)-: it can be used to produce acetic acid 4-[7-methoxy-2-oxo-3-(3-trifluoromethyl-phenyl)-2H-chromen-4-yl]-phenyl ester at the temperature of 135 °C. It will need reagent Et₃N with the reaction time of 18 hours. The yield is about 69%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. Besides you should wear suitable protective clothing and suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CC(=O)O
(2)InChI: InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
(3)InChIKey: BLXXCCIBGGBDHI-UHFFFAOYSA-N