5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine

C₇H₄ClF₃N₂O₃CAS 914637-23-3256.57 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Nitro Primary amine

Properties

Molecular formula: C₇H₄ClF₃N₂O₃
Molar mass: 256.57 g/mol
Exact mass: 255.9863 Da
logP: 2.73Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Identifiers

CAS number

914637-23-3

SMILES

Nc1cc(Cl)c(OC(F)(F)F)cc1[N+](=O)[O-]

InChIKey

NFVAJIPVDHPZKP-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2

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Names and synonyms

2 names

Benzenamine, 5-chloro-2-nitro-4-(trifluoromethoxy)-
5-Chloro-2-nitro-4-(trifluoromethoxy)aniline

Work with 5-Chloro-2-nitro-4-(trifluoromethoxy)benzenamine

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

4,5-Dichloro-2-nitrobenzenamine6641-64-162 % similar 2-Nitro-4-(trifluoromethoxy)aniline2267-23-461 % similar 5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-761 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-260 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-658 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-655 % similar 3-Nitro-4-(trifluoromethoxy)aniline2822-50-654 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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