4-Fluoro-1-nitro-2-(trifluoromethyl)benzene

C7H3F4NO2CAS 393-09-9209.10 g/mol

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ON+O−FFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
Boiling point
88 °C (at 12 Torr)
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
393-09-9
SMILES
O=[N+]([O-])c1ccc(F)cc1C(F)(F)F
InChIKey
WMQOSURXFLBTPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 4-fluoro-1-nitro-2-(trifluoromethyl)-
  • Toluene, α,α,α,5-tetrafluoro-2-nitro-
  • 5-Fluoro-2-nitrobenzotrifluoride
  • 5-Fluoro-2-nitro(trifluoromethyl)benzene
  • NSC 10304
  • 4-Fluoro-6-(trifluoromethyl)nitrobenzene
  • 4-Fluoro-2-(trifluoromethyl)nitrobenzene
  • 1-Fluoro-3-trifluoromethyl-4-nitrobenzene
  • 4-Nitro-3-(trifluoromethyl)fluorobenzene
  • 5-Fluoro-2-nitro-1-trifluoromethylbenzene

Work with 4-Fluoro-1-nitro-2-(trifluoromethyl)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

5-Bromo-2-nitrobenzotrifluoride344-38-769 % similar 4-Fluoro-1,2-dinitrobenzene364-53-466 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-265 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-365 % similar Tfm (piscicide)88-30-265 % similar 2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-560 % similar 2,4-Difluoronitrobenzene446-35-560 % similar 2,5-Difluoronitrobenzene364-74-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-0 4-Fluoro-3-nitrobenzotrifluoride367-86-2 2-Fluoro-5-nitrobenzotrifluoride400-74-8 3-Fluoro-4-nitrobenzotrifluoride402-12-0 2-Fluoro-3-nitrobenzotrifluoride61324-97-8 2-Fluoro-4-nitrobenzotrifluoride69411-67-2 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-4 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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