5-Chloro-4-fluoro-2-nitrobenzenamine

C₆H₄ClFN₂O₂CAS 104222-34-6190.56 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄ClFN₂O₂
Molar mass: 190.56 g/mol
Exact mass: 189.9945 Da
Melting point: 149.5–150 °C
logP: 1.97Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed80% of notifiers
H311 Toxic in contact with skin80% of notifiers
H315 Causes skin irritation20% of notifiers
H319 Causes serious eye irritation20% of notifiers
H330 Fatal if inhaled80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

104222-34-6

SMILES

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

InChIKey

VRJKEIWZSOHDOH-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClFN2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 5-chloro-4-fluoro-2-nitro-
3-Chloro-4-fluoro-6-nitroaniline
5-Chloro-4-fluoro-2-nitroaniline
2-Nitro-4-fluoro-5-chloroaniline

Work with 5-Chloro-4-fluoro-2-nitrobenzenamine

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-nitrobenzenamine6641-64-173 % similar 4,5-Difluoro-2-nitroaniline78056-39-073 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-271 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-166 % similar 2,4-Dinitro-5-fluoroaniline367-81-766 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-663 % similar 5-Chloro-2-nitro-4-(trifluoromethyl)aniline35375-74-763 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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