4-Iodoaniline

C₆H₆INCAS 540-37-4219.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₆IN
Molar mass: 219.03 g/mol
Exact mass: 218.9545 Da
Melting point: 67.5 °C
logP: 1.87Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed98.4% of notifiers
H312 Harmful in contact with skin12.7% of notifiers
H315 Causes skin irritation98.4% of notifiers
H319 Causes serious eye irritation98.4% of notifiers
H332 Harmful if inhaled12.7% of notifiers
H335 May cause respiratory irritation96.8% of notifiers

Aggregated from 63 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

540-37-4

SMILES

Nc1ccc(I)cc1

InChIKey

VLVCDUSVTXIWGW-UHFFFAOYSA-N

InChI

InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Weigh it out

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

Names and synonyms

12 names

Benzenamine, 4-iodo-
Aniline, p-iodo-
4-Iodobenzenamine
p-Iodoaniline
p-Aminophenyl iodide
4-Iodophenylamine
1-Iodo-4-aminobenzene
p-Aminoiodobenzene
NSC 9246
4-Iodobenzeneamine
1-Amino-4-iodobenzene
4-Aminoiodobenzene

Reactions

p-IODOANILINE (Aniline, p-iodo-)product

Work with 4-Iodoaniline

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

P-Phenylenediamine106-50-360 % similar 1,4-Diiodobenzene624-38-460 % similar 4,4′-Diiodo-1,1′-biphenyl3001-15-850 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar Benzidine92-87-550 % similar 4-Iodophenylhydrazine13116-27-345 % similar 4,4′-Ethylenedianiline621-95-445 % similar 4-Iodobenzylamine39959-59-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Iodoaniline615-43-0 3-Iodoaniline626-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook