chempirical

2,4-Difluorophenyl isocyanate

C7H3F2NOCAS 59025-55-7155.10 g/mol

Open in Covalent MOL file
FFNO
Aryl halideIsocyanate

Properties

Molecular formula
C7H3F2NO
Molar mass
155.10 g/mol
Exact mass
155.0183 Da
logP
1.93Crippen estimate
Polar surface area
29.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59025-55-7
SMILES
C1=CC(=C(C=C1F)F)N=C=O
InChIKey
HNENEALJPWJWJY-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,4-Difluorophenyl isocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Difluoro-1-isothiocyanatobenzene141106-52-763 % similar 5-Fluoro-2-methylphenyl isocyanate67191-93-959 % similar 2-Fluorophenyl isocyanate16744-98-258 % similar 3-Fluorophenyl isocyanate404-71-753 % similar 4-Fluorophenyl isocyanate1195-45-552 % similar 2-Fluoro-5-methylphenyl isocyanate190774-50-650 % similar 2-Bromo-4,6-difluorophenyl isocyanate190774-48-249 % similar 2-Fluoro-5-(trifluoromethyl)phenyl isocyanate69922-27-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,6-Difluoro-4-hydroxybenzonitrile123843-57-2 2,3-Difluoro-4-hydroxybenzonitrile126162-38-7 3,5-Difluoro-4-hydroxy-benzonitrile2967-54-6 1,4-Difluoro-2-isocyanatobenzene39718-32-6 3,4-Difluorophenyl isocyanate42601-04-7 2,6-Difluorophenyl isocyanate65295-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook