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3-fluoropyridine(CAS No. 372-47-4)

3-fluoropyridine C5H4FN (cas 372-47-4) Molecular Structure

372-47-4 Structure

Identification and Related Records

【Name】
3-fluoropyridine
【Iupac name】
3-fluoropyridine
【CAS Registry number】
372-47-4
【EINECS(EC#)】
206-755-4
【Molecular Formula】
C5H4FN (Products with the same molecular formula)
【Molecular Weight】
97.09
【Inchi】
InChI=1/C5H4FN/c6-5-2-1-3-7-4-5/h1-4H
【InChIKey】
CELKOWQJPVJKIL-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CN=C1)F
【MOL File】
372-47-4.mol

Chemical and Physical Properties

【Appearance】
Clear colorless liquid.
【Density】
1.13
【Melting Point】
251-254°C (dec.)
【Boiling Point】
107-108℃
【Refractive Index】
1.472-1.474
【Flash Point】
13℃
【Solubilities】
Soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:97.090363 [g/mol]
Molecular Formula:C5H4FN
XLogP3:0.8
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:97.032777
MonoIsotopic Mass:97.032777
Topological Polar Surface Area:12.9
Heavy Atom Count:7
Formal Charge:0
Complexity:56
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:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
F:Flammable
【Risk Statements】
R11;R20/21/22;R36/37/38
【Safety Statements 】
S16;S26;S36/37/39
【HazardClass】
3
【Hazard Note】

Flammable/Irritant

【PackingGroup 】
II
【Transport】
UN 1993 3

Supplier Location

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