2,4-Difluoro-5-nitrophenol

C₆H₃F₂NO₃CAS 113512-57-5175.09 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

Danger

H301 Toxic if swallowed66.7% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H311 Toxic in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H331 Toxic if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

113512-57-5

SMILES

C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]

InChIKey

SMRYCTJAGPDVEH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,4-Difluoro-5-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

1,5-Difluoro-2,4-dinitrobenzene327-92-471 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-171 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-571 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-569 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-159 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-459 % similar 2,4-Difluoro-5-nitrophenylboronic acid325786-11-658 % similar 4-Fluoro-3-nitrophenol2105-96-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluoro-6-nitrophenol364-31-8 3,4-Difluoro-6-nitrophenol55346-97-9 2,3-Difluoro-6-nitrophenol82419-26-9

Elsewhere

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