2,4-Diiodobenzenamine

C₆H₅I₂NCAS 533-70-0344.92 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅I₂N
Molar mass: 344.92 g/mol
Exact mass: 344.8511 Da
Melting point: 95 °C
logP: 2.48Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, 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

533-70-0

SMILES

Nc1ccc(I)cc1I

InChIKey

YJWGKXIQTRYZSH-UHFFFAOYSA-N

InChI

InChI=1S/C6H5I2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,4-diiodo-
Aniline, 2,4-diiodo-
2,4-Diiodoaniline
NSC 508880

Work with 2,4-Diiodobenzenamine

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-Iodobenzene-1,2-diamine21304-38-165 % similar 4-Iodo-2-methylaniline13194-68-858 % similar 2-Iodo-4-methylaniline29289-13-256 % similar 2-Fluoro-4-iodoaniline29632-74-456 % similar 2-Chloro-4-iodobenzenamine42016-93-356 % similar 4-Fluoro-2-iodoaniline61272-76-256 % similar 4-Chloro-2-iodoaniline63069-48-756 % similar 4-Bromo-2-iodoaniline66416-72-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook