Molecular Structure of Benzoicacid, 2-amino-5-(trifluoromethyl)- (CAS NO.83265-53-6):
Empirical Formula: C8H6F3NO2
Molecular Weight: 205.1339
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 2
Polar Surface Area: 63.32 Å2
Index of Refraction: 1.528
Molar Refractivity: 42.399 cm3
Molar Volume: 137.754 cm3
Surface Tension: 42.849 dyne/cm
Density: 1.489 g/cm3
Flash Point: 136.197 °C
Enthalpy of Vaporization: 57.206 kJ/mol
Boiling Point: 301.59 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Product Categories: Benzoic acid series
SMILES: O=C(O)c1cc(ccc1N)C(F)(F)F
InChI: InChI=1/C8H6F3NO2/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3H,12H2,(H,13,14)
Hazard Codes: Xi
Hazard Note: Irritant
Benzoicacid, 2-amino-5-(trifluoromethyl)- , with CAS number of 83265-53-6, can be called 2-Amino-5-(trifluoromethyl)benzoic acid ; Pentafluorobenzenesulphonylchloride .
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