2,3-Difluoro-6-nitroaniline

C₆H₄F₂N₂O₂CAS 211693-73-1174.11 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₄F₂N₂O₂
Molar mass: 174.11 g/mol
Exact mass: 174.0241 Da
logP: 1.46Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

211693-73-1

SMILES

C1=CC(=C(C(=C1[N+](=O)[O-])N)F)F

InChIKey

DIPGYZSCGXBTEU-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2N2O2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H,9H2

Weigh it out

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

Work with 2,3-Difluoro-6-nitroaniline

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

1,2,3-Trifluoro-4-nitrobenzene771-69-769 % similar 3-Fluoro-2-methyl-6-nitroaniline485832-96-067 % similar 2,3,4-Trifluoro-6-nitroaniline148416-38-066 % similar 2-Fluoro-6-nitrobenzenamine17809-36-863 % similar 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-161 % similar 2,3-Difluoro-6-nitrophenol82419-26-961 % similar 1,2-Difluoro-3-nitrobenzene6921-22-859 % similar 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluoro-6-nitrobenzenamine364-30-7 4,5-Difluoro-2-nitroaniline78056-39-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook