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  • 2-Chloro-6-(trifluoromethyl)pyridine
Name:2-Chloro-6-(trifluoromethyl)pyridine
CAS No:39890-95-4

PRODUCT DESCRIPTION

【Name】
2-Chloro-6-(trifluoromethyl)pyridine
【Iupac name】
2-chloro-6-(trifluoromethyl)pyridine
【CAS Registry number】
39890-95-4
【Synonyms】
2-Chloro-6-trifluoromethylpyridine
2-Chloro-6-trifluoromethylpridine
【Molecular Formula】
C6H3ClF3N (Products with the same molecular formula)
【Molecular Weight】
181.54
【Inchi】
InChI=1/C6H3ClF3N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
【Canonical SMILES】
C1=CC(=NC(=C1)Cl)C(F)(F)F
【MOL File】
39890-95-4.mol

Chemical and Physical Properties

【Appearance】
Colorless to off-white liquid (or White to off-white crystal)
【Density】
1.416g/cm3
【Melting Point】
33-35℃
【Boiling Point】
89℃(40 torr)
【Refractive Index】
1.447
【Flash Point】
43°C
【Computed Properties】
Molecular Weight:181.54293 [g/mol]
Molecular Formula:C6H3ClF3N
XLogP3:2.7
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:180.990611
MonoIsotopic Mass:180.990611
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Formal Charge:0
Complexity:136
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R25;R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
6.1
【Hazard Note】

Irritant

【PackingGroup 】
III
【Transport】
UN 2811

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