1-Bromo-2,4-difluoro-5-nitrobenzene

C6H2BrF2NO2CAS 345-24-4237.99 g/mol

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

Properties

Molecular formula
C6H2BrF2NO2
Molar mass
237.99 g/mol
Exact mass
236.9237 Da
Boiling point
97 °C (at 5 Torr)
logP
2.64Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
345-24-4
SMILES
O=[N+]([O-])c1cc(Br)c(F)cc1F
InChIKey
OOUUWURPSUSDTD-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-bromo-2,4-difluoro-5-nitro-
  • 5-Bromo-2,4-difluoronitrobenzene
  • 2,4-Difluoro-5-nitrobromobenzene
  • NSC 10238
  • 1-Bromo-2,4-difluoronitrobenzene

Work with 1-Bromo-2,4-difluoro-5-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

1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-580 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-471 % similar 4-Bromo-5-fluoro-2-nitrotoluene224185-19-771 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-671 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-569 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-166 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-566 % similar 4-Bromo-5-fluoro-2-nitrobenzoic acid1020717-99-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-1,3-difluoro-2-nitrobenzene147808-42-2 4-Bromo-2,5-difluoronitrobenzene167415-27-2

Elsewhere

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