2-Nitro-3-(trifluoromethyl)aniline

C7H5F3N2O2CAS 386-71-0206.12 g/mol

Open in Covalent MOL file
H2NN+OO−FFF
Alkyl halideNitroPrimary amine

Properties

Molecular formula
C7H5F3N2O2
Molar mass
206.12 g/mol
Exact mass
206.0303 Da
logP
2.20Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
386-71-0
SMILES
C1=CC(=C(C(=C1)N)[N+](=O)[O-])C(F)(F)F
InChIKey
ZLWSMUKHEYFHAB-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3-5(11)6(4)12(13)14/h1-3H,11H2

Weigh it out

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Work with 2-Nitro-3-(trifluoromethyl)aniline

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

3-Fluoro-2-nitrobenzenamine567-63-559 % similar 3-Chloro-2-nitrobenzenamine59483-54-457 % similar 3-Bromo-2-nitroaniline7138-15-057 % similar 2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-554 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-153 % similar 2-Fluoro-3-nitrobenzotrifluoride61324-97-853 % similar Alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene6656-49-151 % similar 5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Dihydro-2-oxo-6-(trifluoromethyl)-3-pyridinecarboxamide116548-03-9 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine121-01-7 4-Nitro-3-(trifluoromethyl)aniline393-11-3 2-Amino-4-nitrobenzotrifluoride393-49-7 2-Nitro-4-(trifluoromethyl)aniline400-98-6 3-Nitro-5-(trifluoromethyl)aniline401-94-5 3-Amino-4-nitrobenzotrifluoride402-14-2

Elsewhere

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