1,2,3,5-Tetrafluoro-4-nitrobenzene

C6HF4NO2CAS 314-41-0195.07 g/mol

Open in Covalent MOL file
ON+O−FFFF
Aryl halideNitro

Properties

Molecular formula
C6HF4NO2
Molar mass
195.07 g/mol
Exact mass
194.9943 Da
Boiling point
76–77 °C (at 20 Torr)
logP
2.15Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
314-41-0
SMILES
O=[N+]([O-])c1c(F)cc(F)c(F)c1F
InChIKey
FDLCUAUNAWWSBX-UHFFFAOYSA-N
InChI
InChI=1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,2,3,5-tetrafluoro-4-nitro-
  • 2,3,4,6-Tetrafluoronitrobenzene
  • 2,3,4,6-Tetrafluoro-1-nitrobenzene

Work with 1,2,3,5-Tetrafluoro-4-nitrobenzene

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

1,3,5-Trifluoro-2-nitrobenzene315-14-060 % similar 3,4,5-Trifluoronitrobenzene66684-58-060 % similar Pentafluoronitrobenzene880-78-459 % similar 5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-256 % similar 2,3,4-Trifluoro-6-nitroaniline148416-38-054 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-453 % similar 1,3-Difluoro-2-nitrobenzene19064-24-552 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-0 1,2,4,5-Tetrafluoro-3-nitrobenzene6257-03-0

Elsewhere

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