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Basic Information
CAS No.: 81565-19-7
Name: 3-Chloro-4-(trifluoromethyl)pyridine
Molecular Structure:
Molecular Structure of 81565-19-7 (3-Chloro-4-(trifluoromethyl)pyridine)
Formula: C6 H3 Cl F3 N
Molecular Weight: 181.545
Synonyms: 3-Chloro-4-trifluoromethylpyridine;Pyridine, 4-chloro-3-(trifluoromethyl)-;
Density: 1.416 g/cm3
Melting Point: -23--20 °C
Boiling Point: 170.6 ºC at 760 mmHg
Flash Point: 57 ºC
Hazard Symbols: ToxicT, IrritantXi, FlammableF
Risk Codes: 11-25-36/37/38
Safety: 16-22-36/37/39-45
PSA: 12.89000
LogP: 2.75380
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Chemistry


IUPAC Name: 3-Chloro-4-(trifluoromethyl)pyridine
Molecular Formula: C6H3ClF3N
Molecular Weight: 181.54 g/mol
Canonical SMILES: C1=CN=CC(=C1C(F)(F)F)Cl
InChI: InChI=1S/C6H3ClF3N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
Product Categories: pharmacetical; Pyridine; Pyridine series
XLogP3-AA: 2.4
H-Bond Acceptor: 4
Exact Mass: 180.990611
MonoIsotopic Mass: 180.990611
Topological Polar Surface Area: 12.9
Heavy Atom Count: 11
Complexity: 136
Index of Refraction: 1.446
Molar Refractivity: 34.21 cm3
Molar Volume: 128.1 cm3
Polarizability: 13.56×10-24 cm3
Surface Tension: 27.9 dyne/cm
Density: 1.416 g/cm3
Flash Point: 57 °C
Enthalpy of Vaporization: 39.03 kJ/mol
Boiling Point: 170.6 °C at 760 mmHg
Vapour Pressure of 3-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-19-7): 1.94 mmHg at 25 °C

Safety Profile

Hazard Codes: ToxicT, IrritantXi, FlammableF
Risk Statements: 11-25-36/37/38 
R11: Highly flammable. 
R25: Toxic if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 16-22-36/37/39-45 
S16: Keep away from sources of ignition. 
S22: Do not breathe dust. 
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. 
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
HazardClass of 3-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-19-7): Irritant

Specification

 3-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-19-7), its Synonyms are 3-Chloro-4-trifluoromethylpyridine ; Pyridine, 4-chloro-3-(trifluoromethyl)- .