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2,4-Difluorophenyl isocyanate

CAT: 0127-PC2875H-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-PC2875H-01Size:5 g
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CAS Number
59025-55-7
Synonyms
2,4-Difluoro-1-isocyanatobenzene
MDL Number
MFCD00001997
Purity
98%
Smiles
Fc1ccc(N=C=O)c(F)c1
Storage Conditions
Store at 2-8°C
Notes
May form small amount of sediment

Chemical Information

2,4-Difluorophenyl isocyanate
CAS Number59025-55-7
PubChem CID593258
IUPAC Name2,4-difluoro-1-isocyanatobenzene
Molecular FormulaC7H3F2NO
Molecular Weight155.10
XLogP2.9
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity179
SMILES
C1=CC(=C(C=C1F)F)N=C=O
InChI
InChI=1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey
HNENEALJPWJWJY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Difluorophenyl isocyanate
CAS: 59025-55-7
CID: 593258
Formula: C7H3F2NO
MW: 155.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.10
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass155.01827004
Monoisotopic Mass155.01827004
Topological Polar Surface Area29.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
PC2875K-013,4-Difluorophenyl isocyanate
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PC2875I-012,5-Difluorophenyl isocyanate
PC0845-013,5-Difluorophenyl isocyanate
PC9006982,4-Difluorophenyl isocyanide
OR1028843-012,4-Dimethoxyphenyl Isocyanate
OR1023401-012,4-Dichlorobenzyl Isocyanate
OR0363-012,4-Dichlorophenyl isocyanate
OR1509-014-Bromo-2-methylphenyl isocyanate
OR97022-012 4'-Methylenebis (phenyl isocyanate)

Alternative Products

CatalogName
sc-2383292,4-Difluorophenyl isocyanate
sc-2320003,4-Difluorophenyl isocyanate
sc-2252122-Bromo-4,6-difluorophenyl isocyanate
sc-2324604-Bromo-2,6-difluorophenyl isocyanate
420876-012,6-Difluorophenyl isocyanate
sc-2563452,5-Difluorophenyl isocyanate
sc-2520543,5-Difluorophenyl isocyanate
sc-2753102,4-Dibromophenyl isocyanate
sc-2309542,4-Dichlorophenyl isocyanate
sc-2309832,4-Dimethoxyphenyl isocyanate

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