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  • 2-Chloro-5-(trifluoromethyl)pyridine
Name:2-Chloro-5-(trifluoromethyl)pyridine
CAS No:52334-81-3

PRODUCT DESCRIPTION

【Name】
2-Chloro-5-(trifluoromethyl)pyridine
【Iupac name】
2-chloro-5-(trifluoromethyl)pyridine
【CAS Registry number】
52334-81-3
【Synonyms】
2,5-CTF
2-Chloro-5-trifluoromethylpyridine
【EINECS(EC#)】
257-856-5
【Molecular Formula】
C6H3ClF3N (Products with the same molecular formula)
【Molecular Weight】
181.54
【Inchi】
InChI=1/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
【Canonical SMILES】
C1=CC(=NC=C1C(F)(F)F)Cl
【MOL File】
52334-81-3.mol

Chemical and Physical Properties

【Appearance】
white semi-solid
【Density】
1.417
【Melting Point】
29-33℃
【Boiling Point】
152℃
【Flash Point】
65℃
【Solubilities】
Insoluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:181.54293 [g/mol]
Molecular Formula:C6H3ClF3N
XLogP3-AA: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】
Xn:Harmful
【Risk Statements】
R20/21/22;R36/37/38
【Safety Statements 】
S26;S36/37/39
【HazardClass】
6.1
【Hazard Note】

Irritant

【PackingGroup 】
III
【Transport】
200kgs

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