2,3-Difluoro-6-nitrophenol

C₆H₃F₂NO₃CAS 82419-26-9175.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₃F₂NO₃
Molar mass: 175.09 g/mol
Exact mass: 175.0081 Da
logP: 1.58Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled91.3% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

82419-26-9

SMILES

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

InChIKey

KEGOHDCHURMFKX-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F2NO3/c7-3-1-2-4(9(11)12)6(10)5(3)8/h1-2,10H

Weigh it out

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

Work with 2,3-Difluoro-6-nitrophenol

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 2-Fluoro-6-nitrophenol1526-17-663 % similar 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-161 % similar 2,3-Difluoro-6-nitroaniline211693-73-161 % similar 1,2-Difluoro-3-nitrobenzene6921-22-859 % similar 4-Fluoro-3-nitrophenol2105-96-658 % similar 3-Fluoro-4-nitrophenol394-41-258 % 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-5-nitrophenol113512-57-5 2,4-Difluoro-6-nitrophenol364-31-8 3,4-Difluoro-6-nitrophenol55346-97-9

Elsewhere

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