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2,4-Difluoroiodobenzene

Catalog Number
ACM2265932-1
CAS Number
2265-93-2
Product Name
2,4-Difluoroiodobenzene
Category
Liquid Crystal (LC) Building Blocks
Synonyms
Benzene, 2,4-difluoro-1-iodo-
IUPAC Name
2,4-difluoro-1-iodobenzene
Molecular Weight
239.99
Molecular Formula
C6H3F2I
Canonical SMILES
C1=CC(=C(C=C1F)F)I
InChI
InChI=1S/C6H3F2I/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChI Key
YKLDMAPEGQYZRT-UHFFFAOYSA-N
Boiling Point
175-176 ºC (lit.)
Purity
98%+
Density
2.006 g/ml
Application
2,4-Difluoroiodobenzene is a clear light yellow to slightly brown liquid utilized primarily as a versatile building block in organic synthesis. It serves a critical role in the preparation of complex molecules, such as 1,2,4-tris(1H-pyrazolyl)benzene through its reaction with pyrazole in the presence of catalyzers like Cu2O, salicylaldoxime, and Cs2CO3 in acetonitrile. Additionally, it is a key component in synthesizing compounds like 3-(2,4-difluorophenyl)-2-propyn-1-ol and N-(2-((2,4-difluorophenyl)thio)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)methanesulfonamide, showcasing its importance in various chemical synthesis applications.
Complexity
97.1
Covalently-Bonded Unit Count
1
Exact Mass
239.92475g/mol
Formal Charge
0
Hazard Statements
H226-H302-H315-H319-H335
Heavy Atom Count
9
Monoisotopic Mass
239.92475g/mol
NSC Number
68264
Rotatable Bond Count
0
XLogP3
2.8
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