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81565-18-6

Basic Information
CAS No.: 81565-18-6
Name: 2-Chloro-4-(trifluoromethyl)pyridine
Article Data: 14
Cas Database
Molecular Structure:
Molecular Structure of 81565-18-6 (2-Chloro-4-(trifluoromethyl)pyridine)
Formula: C6H3ClF3N
Molecular Weight: 181.545
Synonyms: Pyridine,2-chloro-4-(trifluoromethyl);2-chloro-4-(trifluoromethyl)-pyridine;2-chloro-4-trifluromethyl-pyridine;
EINECS: 1.416 g/cm3
Density: 1.417 g/cm3
Melting Point: -19 °C
Boiling Point: 172.5 °C at 760 mmHg
Flash Point: 58.1 °C
Solubility: N/A
Appearance: Light yellow liquid
Hazard Symbols: IrritantXi,ToxicT,FlammableF
Risk Codes: 10-36/37/38-25-11
Safety: 26-36-45-36/37/39-22-16
Transport Information: UN 1993 3/PG 3
PSA: 12.89000
LogP: 2.75380
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Chemistry

Product Name: 2-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-18-6)

Molecular Formula: C6H3ClF3N
Molecular Weight: 181.54g/mol
Mol File: 81565-18-6.mol
Appearance: Light yellow liquid
Melting Point: -19°C
Boiling point: 172.5 °C at 760 mmHg
Flash Point: 58.1 °C
Density: 1.416 g/cm3
Refractive index: n20/D 1.4490(lit.) 
Index of Refraction: 1.446 
Molar Refractivity: 34.21 cm3 
Molar Volume: 128.1 cm3 
Surface Tension: 27.9 dyne/cm
Enthalpy of Vaporization: 39.21 kJ/mol
Vapour Pressure: 1.77 mmHg at 25°C
XLogP3-AA: 2.7
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of 2-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-18-6):
  IUPAC Name: 2-chloro-4-(trifluoromethyl)pyridine 
  Canonical SMILES: C1=CN=C(C=C1C(F)(F)F)Cl
  InChI: InChI=1S/C6H3ClF3N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H 
  InChIKey: GBNPVXZNWBWNEN-UHFFFAOYSA-N
Product Categories: Pyridine series; Halides; Pyridines; Pyridine; Pyridines derivates; C6Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks

Uses

 2-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-18-6)  can be used as an important intermediate in organic synthesis, especially as pharmaceutical intermediates.

Safety Profile

Safety Information of 2-Chloro-4-(trifluoromethyl)pyridine (CAS NO.81565-18-6):
Hazard Codes: XiIrritant,TToxic,FFlammable
Risk Statements: 10-36/37/38-25-11  
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R25 :Toxic if swallowed. 
R11:Highly flammable.
Safety Statements: 26-36-45-36/37/39-22-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S22:Do not breathe dust. 
S16:Keep away from sources of ignition.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 3
PackingGroup: III

Specification

 2-Chloro-4-(trifluoromethyl)pyridine , its CAS NO. is 81565-18-6, the synonym is Pyridine,2-chloro-4-(trifluoromethyl)- .