4-Fluoro-1-iodo-2-nitrobenzene

C₆H₃FINO₂CAS 364-77-2267.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃FINO₂
Molar mass: 267.00 g/mol
Exact mass: 266.9193 Da
Boiling point: 126–128 °C (at 9.8 Torr)
logP: 2.34Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation12.5% of notifiers

Aggregated from 8 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

364-77-2

SMILES

O=[N+]([O-])c1cc(F)ccc1I

InChIKey

ANPFMDLUEWNKIM-UHFFFAOYSA-N

InChI

InChI=1S/C6H3FINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzene, 4-fluoro-1-iodo-2-nitro-
5-Fluoro-2-iodonitrobenzene
2-Iodo-5-fluoronitrobenzene

Work with 4-Fluoro-1-iodo-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

4-Fluoro-1,2-dinitrobenzene364-53-467 % similar 2,4-Dinitroiodobenzene709-49-966 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-664 % similar 2,5-Difluoronitrobenzene364-74-963 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-862 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-362 % similar 4-Iodo-3-nitrotoluene5326-39-662 % similar 2,4-Difluoronitrobenzene446-35-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-iodonitrobenzene2996-30-7 1-Fluoro-4-iodo-2-nitrobenzene364-75-0 1-Fluoro-3-iodo-5-nitrobenzene3819-88-3

Elsewhere

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