chempirical

2,4-Dinitro(trifluoromethoxy)benzene

C7H3F3N2O5CAS 655-07-2252.11 g/mol

Open in Covalent MOL file
N+OO−N+OO−OFFF
Alkyl halideEtherNitro

Properties

Molecular formula
C7H3F3N2O5
Molar mass
252.11 g/mol
Exact mass
251.9994 Da
logP
2.40Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

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
655-07-2
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(F)(F)F
InChIKey
KYUUZCUXYXNPFO-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3N2O5/c8-7(9,10)17-6-2-1-4(11(13)14)3-5(6)12(15)16/h1-3H

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Names and synonyms

1 names
  • 2,4-Dinitro-1-(trifluoromethoxy)benzene

Work with 2,4-Dinitro(trifluoromethoxy)benzene

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-Bromo-4-nitro(trifluoromethoxy)benzene200958-40-369 % similar 3-Nitro-4-(trifluoromethoxy)aniline2822-50-669 % similar 2-(Trifluoromethoxy)nitrobenzene1644-88-865 % similar O-(2,4-Dinitrophenyl)hydroxylamine17508-17-762 % similar 2,4-Dinitroanisole119-27-761 % similar 4-(Trifluoromethoxy)nitrobenzene713-65-559 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-459 % similar 1-Nitro-3-(trifluoromethoxy)benzene2995-45-157 % similar

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

Same formula

2,6-Dinitro-4-(trifluoromethyl)phenol393-77-1

Elsewhere

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