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  • 2-Chloro-2,4-difluoroacetophenone
Name:2-Chloro-2,4-difluoroacetophenone
CAS No:51336-94-8

PRODUCT DESCRIPTION

【Name】
2-Chloro-2',4'-difluoroacetophenone
【Iupac name】
2-chloro-1-(2,4-difluorophenyl)ethanone
【CAS Registry number】
51336-94-8
【Synonyms】
2,4-difluoro-α-chloroacetophenone
【EINECS(EC#)】
257-201-3
【Molecular Formula】
C8H5ClF2O (Products with the same molecular formula)
【Molecular Weight】
190.58
【Inchi】
InChI=1/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
【Canonical SMILES】
C1=CC(=C(C=C1F)F)C(=O)CCl
【MOL File】
51336-94-8.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.353 g/cm3
【Melting Point】
44-48℃
【Boiling Point】
240.9 °C at 760 mmHg
【Refractive Index】
1.526
【Flash Point】
>230 °F
【Storage temp】
-20°C Freezer, Under Inert Atmosphere
【Computed Properties】
Molecular Weight:190.574506 [g/mol]
Molecular Formula:C8H5ClF2O
XLogP3-AA:2.4
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:189.999699
MonoIsotopic Mass:189.999699
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Formal Charge:0
Complexity:174
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:2
Conformer Sampling RMSD:0.6
CID Conformer Count:10

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R34
【Safety Statements 】
S25;S36/37/39;S45
【HazardClass】
8
【Hazard Note】
Corrosive/Irritant/Lachrymatory
【PackingGroup 】
II
【Sensitive】
Lachrymatory
【Transport】
UN 3261

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