4-(Trifluoromethyl)phenylacetic acid

Molecule structure of 4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8):

IUPAC Name: 2-[4-(Trifluoromethyl)phenyl]acetic acid 
Molecular Weight: 204.14589 g/mol
Molecular Formula: C₉H₇F₃O₂ 
Density: 1.357 g/cm³ 
Melting Point: 82-85 °C(lit.)
Boiling Point: 263.1 °C at 760 mmHg 
Flash Point: 112.9 °C
Index of Refraction: 1.475
Molar Refractivity: 42.34 cm³
Molar Volume: 150.3 cm³
Polarizability: 16.78×10^-24 cm³
Surface Tension: 33.8 dyne/cm 
Enthalpy of Vaporization: 52.92 kJ/mol
Vapour Pressure: 0.0053 mmHg at 25 °C
XLogP3: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 204.039814
MonoIsotopic Mass: 204.039814
Topological Polar Surface Area: 37.3
Heavy Atom Count: 14
Canonical SMILES: C1=CC(=CC=C1CC(=O)O)C(F)(F)F
InChI: InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
InChIKey: HNORVZDAANCHAY-UHFFFAOYSA-N
EINECS: 251-263-5
Product Categories: Acids and Derivatives; Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid

 4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8) is used as pharmaceutical intermediates.

Hazard Codes: Xi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

 4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8) is also named as [4-(Trifluoromethyl)phenyl]acetic acid ; benzeneacetic acid, 4-(trifluoromethyl)- ; (.alpha.,.alpha.,.alpha.-Trifluoro-p-tolyl)-acetic acid ; (alpha,alpha,alpha-trifluoro-4-tolyl)acetic acid ; 2-(4-(trifluoromethyl)phenyl)acetic acid ; 2-[4-(Trifluoromethyl)Phenyl]Acetic Acid . 4-(Trifluoromethyl)phenylacetic acid (CAS NO.32857-62-8) is white to very pale yellow crystals.