4-Nitro-3-(trifluoromethyl)aniline

C₇H₅F₃N₂O₂CAS 393-11-3206.12 g/mol

Open in Covalent MOL file

Alkyl halide Nitro Primary amine

Properties

Molecular formula: C₇H₅F₃N₂O₂
Molar mass: 206.12 g/mol
Exact mass: 206.0303 Da
Melting point: 129 °C
logP: 2.20Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed38.3% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H312+H332 Harmful in contact with skin or if inhaled34.6% of notifiers
H312 Harmful in contact with skin42% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H332 Harmful if inhaled48.1% of notifiers
H335 May cause respiratory irritation96.3% of notifiers

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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

393-11-3

SMILES

Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

InChIKey

UTKUVRNVYFTEHF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2

Weigh it out

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

Names and synonyms

9 names

Benzenamine, 4-nitro-3-(trifluoromethyl)-
m-Toluidine, α,α,α-trifluoro-4-nitro-
4-Nitro-3-(trifluoromethyl)benzenamine
α,α,α-Trifluoro-4-nitro-m-toluidine
3-Trifluoromethyl-4-nitroaniline
5-Amino-2-nitrobenzotrifluoride
NSC 10323
(4-Nitro-3-trifluoromethylphenyl)amine
3-Amino-6-nitrobenzotrifluoride

Work with 4-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

4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-965 % similar 5-Chloro-2-nitrobenzotrifluoride118-83-263 % similar 5-Bromo-2-nitrobenzotrifluoride344-38-763 % similar Tfm (piscicide)88-30-263 % similar 3,4-Dinitroaniline610-41-362 % similar 3-Fluoro-4-nitrobenzenamine2369-13-359 % similar 2-Nitro-alpha,alpha,alpha-trifluorotoluene384-22-558 % similar 4-Nitro-m-phenylenediamine5131-58-858 % 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 2-Nitro-3-(trifluoromethyl)aniline386-71-0 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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