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158062-71-6

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Basic Information
CAS No.: 158062-71-6
Name: 4-(Trifluoromethyl)nicotinamide
Molecular Structure:
Molecular Structure of 158062-71-6 (4-(Trifluoromethyl)nicotinamide)
Formula: C7 H5 F3 N2 O
Molecular Weight: 190.125
Synonyms: 4-Trifluoromethyl-3-pyridinecarboxamide;Trifluoromethylpyridinecarboxamide2;
Density: 1.409 g/cm3
Melting Point: 165°C
Boiling Point: 292 ºC at 760 mmHg
Flash Point: 130.4 ºC
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 55.98000
LogP: 1.89960
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Chemistry


Systematic Name: 4-(Trifluoromethyl)pyridine-3-carboxamide
Molecular Formula: C7H5F3N2O
Molecular Weight: 190.12 g/mol
Canonical SMILES: O=C(c1c(ccnc1)C(F)(F)F)N
InChI: InChI=1/C7H5F3N2O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13/h1-3H,(H2,11,13)
Mol File: 158062-71-6.mol
Nominal Mass: 190
Average Mass: 190.1226
Monoisotopic Mass: 190.035397
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 33.2
Index of Refraction: 1.479
Molar Refractivity: 38.25 cm3
Molar Volume: 134.8 cm3
Polarizability: 15.16×10-24 cm3
Surface Tension: 37.1 dyne/cm
Density: 1.409 g/cm3
Flash Point: 130.4 °C
Enthalpy of Vaporization: 53.15 kJ/mol
Boiling Point: 292 °C at 760 mmHg
Melting Point: 165 °C
Vapour Pressure of 4-(Trifluoromethyl)nicotinamide (CAS NO.158062-71-6): 0.00188 mmHg at 25 °C

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
HazardClass of 4-(Trifluoromethyl)nicotinamide (CAS NO.158062-71-6): Irritant

Specification

 4-(Trifluoromethyl)nicotinamide (CAS NO.158062-71-6), its Synonyms are 4-(Trifluoromethyl)pyridine-3-carboxamide ; Trifluoromethylpyridinecarboxamide2 .