1-Fluoro-2-nitrobenzene

C₆H₄FNO₂CAS 1493-27-2141.10 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₄FNO₂
Molar mass: 141.10 g/mol
Exact mass: 141.0226 Da
Density: 1.3291 g/mL (at 25 °C)
Melting point: −6 °C
Boiling point: 86–87 °C (at 11 Torr)
logP: 1.73Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed79.1% of notifiers
H310 Fatal in contact with skin19.4% of notifiers
H311 Toxic in contact with skin60.2% of notifiers
H315 Causes skin irritation43.5% of notifiers
H319 Causes serious eye irritation43.5% of notifiers
H335 May cause respiratory irritation20.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure23% of notifiers

Aggregated from 191 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1493-27-2

SMILES

O=[N+]([O-])c1ccccc1F

InChIKey

PWKNBLFSJAVFAB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

Weigh it out

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

Names and synonyms

10 names

Benzene, 1-fluoro-2-nitro-
o-Nitrofluorobenzene
o-Fluoronitrobenzene
2-Fluoronitrobenzene
2-Nitrofluorobenzene
2-Fluoro-1-nitrobenzene
2-Nitro-1-fluorobenzene
NSC 51869
4-Fluoro-3-nitrobenzene
3-Fluoro-2-nitrobenzene

Work with 1-Fluoro-2-nitrobenzene

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-Difluoro-3-nitrobenzene6921-22-871 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-967 % similar 1,2-Dinitrobenzene528-29-067 % similar 2-Fluoro-6-nitrophenol1526-17-665 % similar 2-Fluoro-6-nitrobenzenamine17809-36-865 % similar 2-Bromo-1-fluoro-3-nitrobenzene59255-94-665 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-865 % similar 3-Fluoro-2-nitropyridine54231-35-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluoropyridine-2-carboxylic acid107504-08-5 3-Fluoro-5-hydroxypicolinaldehyde1227515-00-5 3-Fluoropyridine-2-carboxylic acid152126-31-3 4-Fluoronitrobenzene350-46-9 3-Fluoropyridine-4-carboxylic acid393-53-3 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4

Elsewhere

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