4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine

C₇H₅F₃N₂O₂CAS 121-01-7206.12 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: 88 °C
logP: 2.20Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed19.1% of notifiers
H312 Harmful in contact with skin10.6% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled19.1% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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

121-01-7

SMILES

Nc1ccc([N+](=O)[O-])cc1C(F)(F)F

InChIKey

HOTZLWVITTVZGY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

4-Nitro-2-(trifluoromethyl)aniline
4-Nitro-2-(trifluoromethyl)benzenamine
α,α,α-Trifluoro-4-nitro-o-toluidine
2-(Trifluoromethyl)-4-nitroaniline
2-Amino-5-nitrobenzotrifluoride
1-Amino-2-trifluoromethyl-4-nitrobenzene
4-Nitro-2-trifluoromethylphenylamine
4-Nitro-2-trifluoromethylbenzenamine
Benzenamine, 4-nitro-2-(trifluoromethyl)-
o-Toluidine, α,α,α-trifluoro-4-nitro-

Work with 4-Nitro-alpha,alpha,alpha-trifluoro-o-toluidine

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

2-Fluoro-5-nitrobenzotrifluoride400-74-865 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-963 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-763 % similar 2-Methyl-5-nitrobenzotrifluoride89976-12-563 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-263 % similar 4-Nitro-1,2-phenylenediamine99-56-962 % similar 2-Fluoro-4-nitrobenzotrifluoride69411-67-261 % similar 2-Fluoro-4-nitrobenzenamine369-35-759 % 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 2-Nitro-3-(trifluoromethyl)aniline386-71-0 4-Nitro-3-(trifluoromethyl)aniline393-11-3 2-Amino-4-nitrobenzotrifluoride393-49-7 2-Nitro-4-(trifluoromethyl)aniline400-98-6 3-Nitro-5-(trifluoromethyl)benzenamine401-94-5 3-Amino-4-nitrobenzotrifluoride402-14-2

Elsewhere

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