2-Iodoaniline

C₆H₆INCAS 615-43-0219.03 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: 56.5 °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 swallowed96.1% of notifiers
H312 Harmful in contact with skin96.1% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation21.6% of notifiers
H332 Harmful if inhaled96.1% of notifiers
H335 May cause respiratory irritation96.1% of notifiers

Aggregated from 51 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

615-43-0

SMILES

Nc1ccccc1I

InChIKey

UBPDKIDWEADHPP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 2-iodo-
Aniline, o-iodo-
2-Iodobenzenamine
o-Aminoiodobenzene
o-Iodoaniline
2-Aminophenyl iodide
NSC 34544
1-Amino-2-iodobenzene
2-Iodophenylamine
2-Aminoiodobenzene

Work with 2-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

1,2-Diiodobenzene615-42-956 % similar O-Phenylenediamine95-54-556 % similar 2-Iodo-5-methylbenzenamine13194-69-950 % similar 2-Iodo-4-methylaniline29289-13-250 % similar 5-Bromo-2-iodoaniline64085-52-550 % similar 2,4-Diiodobenzenamine533-70-048 % similar O-Toluidine95-53-448 % similar 4-Iodopyridin-3-amine105752-11-246 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-3-methylpyridine22282-58-2 4-Iodoaniline540-37-4 3-Iodoaniline626-01-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook