2-Iodo-4-nitroaniline

C₆H₅IN₂O₂CAS 6293-83-0264.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₆H₅IN₂O₂
Molar mass: 264.02 g/mol
Exact mass: 263.9396 Da
logP: 1.78Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6293-83-0

SMILES

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

InChIKey

LOLSEMNGXKAZBZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H5IN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2

Weigh it out

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

Work with 2-Iodo-4-nitroaniline

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-Nitro-1,2-phenylenediamine99-56-968 % similar 2-Amino-5-nitrotoluene99-52-565 % similar 2,4-Dinitroaniline97-02-964 % similar 2-Amino-5-nitrophenol121-88-062 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-862 % similar 2,6-Diiodo-4-nitrobenzenamine5398-27-661 % similar 2-Chloro-4-nitroaniline121-87-960 % similar 2-Bromo-4-nitrobenzenamine13296-94-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2-nitrobenzenamine20691-72-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook