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  • 2-Fluoroacetophenone
Name:2-Fluoroacetophenone
CAS No:445-27-2

PRODUCT DESCRIPTION

【Name】
2'-Fluoroacetophenone
【Iupac name】
1-(2-fluorophenyl)ethanone
【CAS Registry number】
445-27-2
【Synonyms】
1-(2-Fluorophenyl)ethanone
Fluoroacetophenone1
Fluoroacetophenonemincolorlessliq
2-Fluoroacetophenone
【EINECS(EC#)】
207-156-0
【Molecular Formula】
C8H7FO (Products with the same molecular formula)
【Molecular Weight】
138.14
【Inchi】
InChI=1/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
【InChIKey】
QMATYTFXDIWACW-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=CC=CC=C1F
【MOL File】
445-27-2.mol

Chemical and Physical Properties

【Appearance】
Colorless liquid
【Density】
1.137
【Melting Point】
26-27C
【Boiling Point】
82-83℃ (10 mmHg)
【Vapour】
0.0426mmHg at 25°C
【Refractive Index】
1.507-1.509
【Flash Point】
61℃
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29147090
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:138.138983 [g/mol]
Molecular Formula:C8H7FO
XLogP3:1.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:138.048093
MonoIsotopic Mass:138.048093
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:133
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:4

Safety and Handling

【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Transport】
UN 2810

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