1-Iodo-2-nitrobenzene

C₆H₄INO₂CAS 609-73-4249.01 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₄INO₂
Molar mass: 249.01 g/mol
Exact mass: 248.9287 Da
Melting point: 54 °C
Boiling point: 290 °C
logP: 2.20Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed95.8% of notifiers
H312 Harmful in contact with skin95.8% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled95.8% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 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

609-73-4

SMILES

O=[N+]([O-])c1ccccc1I

InChIKey

JXMZUNPWVXQADG-UHFFFAOYSA-N

InChI

InChI=1S/C6H4INO2/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.

Names and synonyms

10 names

2-Nitroiodobenzene
2-Iodonitrobenzene
o-Nitroiodobenzene
o-Nitrophenyl iodide
2-Nitrophenyl iodide
1-Nitro-2-iodobenzene
Benzene, 1-iodo-2-nitro-
o-Iodonitrobenzene
NSC 9793
2-Nitro-1-iodobenzene

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dinitrobenzene528-29-067 % similar 2,2′-Dinitrobiphenyl2436-96-659 % similar 2-Nitrotoluene88-72-259 % similar 2,4-Dinitroiodobenzene709-49-958 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-256 % similar 1-Bromo-2-nitrobenzene577-19-555 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-855 % similar 4-Iodo-3-nitrotoluene5326-39-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodopyridine-2-carboxylic acid405939-79-9 2-Iodo-isonicotinic acid58481-10-0 1-Iodo-4-nitrobenzene636-98-6 1-Iodo-3-nitrobenzene645-00-1

Elsewhere

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