chempirical

2-Nitrobenzotrifluoride

C7H4F3NO2CAS 384-22-5191.11 g/mol

Open in Covalent MOL file
ON+O−FFF
Alkyl halideNitro

Properties

Molecular formula
C7H4F3NO2
Molar mass
191.11 g/mol
Exact mass
191.0194 Da
Melting point
32.5 °C
Boiling point
217 °C
logP
2.61Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
384-22-5
SMILES
O=[N+]([O-])c1ccccc1C(F)(F)F
InChIKey
NDZJSUCUYPZXPR-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-1-2-4-6(5)11(12)13/h1-4H

Weigh it out

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

Names and synonyms

8 names
  • Benzene, 1-nitro-2-(trifluoromethyl)-
  • Toluene, α,α,α-trifluoro-o-nitro-
  • 1-Nitro-2-(trifluoromethyl)benzene
  • o-Nitrobenzotrifluoride
  • 2-Nitro-α,α,α-trifluorotoluene
  • α,α,α-Trifluoro-o-nitrotoluene
  • o-(Trifluoromethyl)nitrobenzene
  • 2-(Trifluoromethyl)nitrobenzene

Work with 2-Nitrobenzotrifluoride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-170 % similar 2-Methyl-1-nitro-3-(trifluoromethyl)benzene6656-49-168 % similar 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-960 % similar 1,2-Dinitrobenzene528-29-059 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-258 % similar 4-Nitro-3-(trifluoromethyl)aniline393-11-358 % similar Tfm (piscicide)88-30-258 % similar 1-Fluoro-2-nitrobenzene1493-27-253 % similar

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

Same formula

3-Amino-2,4,5-trifluorobenzoic acid119385-80-7 5-(Trifluoromethyl)nicotinic acid131747-40-5 2-(Trifluoromethyl)isonicotinic acid131747-41-6 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-7 2-(Trifluoromethyl)nicotinic acid131747-43-8 3-Amino-2,5,6-trifluorobenzoic acid133622-65-8 6-Trifluoromethylnicotinic acid231291-22-8 4-Nitrobenzotrifluoride402-54-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook