2-Iodo-4-methylaniline

C₇H₈INCAS 29289-13-2233.05 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈IN
Molar mass: 233.05 g/mol
Exact mass: 232.9701 Da
Melting point: 37 °C
Boiling point: 116–118 °C (at 0.8 Torr)
logP: 2.18Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

29289-13-2

SMILES

Cc1ccc(N)c(I)c1

InChIKey

AJTUKWIQLKKRHE-UHFFFAOYSA-N

InChI

InChI=1S/C7H8IN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2-iodo-4-methyl-
p-Toluidine, 2-iodo-
2-Iodo-4-methylbenzenamine
2-Amino-5-methylphenyl iodide

Work with 2-Iodo-4-methylaniline

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

2,4-Xylidine95-68-162 % similar 3,4-Diaminotoluene496-72-060 % similar 2-Iodo-1,4-dimethylbenzene1122-42-558 % similar 2,4-Diiodobenzenamine533-70-056 % similar 2,5-Xylidine95-78-356 % similar 2,4-Dimethylaniline hydrochloride21436-96-455 % similar 2-Chloro-4-methylaniline615-65-654 % similar 2-Iodo-4-methoxyphenylamine191348-14-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodo-2-methylaniline13194-68-8 2-Iodo-5-methylbenzenamine13194-69-9 3-Iodo-4-methylbenzenamine35944-64-0 4-Iodobenzylamine39959-59-6 3-Iodobenzylamine696-40-2 5-Iodo-o-toluidine83863-33-6

Elsewhere

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