5-Iodo-o-toluidine

C₇H₈INCAS 83863-33-6233.05 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
logP: 2.18Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed91.1% of notifiers
H315 Causes skin irritation97.8% of notifiers
H317 May cause an allergic skin reaction88.9% of notifiers
H318 Causes serious eye damage88.9% of notifiers
H319 Causes serious eye irritation11.1% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

83863-33-6

SMILES

Cc1ccc(I)cc1N

InChIKey

IOEHXNCBPIBDBZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

5-Iodo-2-methylaniline
Benzenamine, 5-iodo-2-methyl-
5-Iodo-2-methylbenzenamine
3-Iodo-6-methylaniline
5-Iodo-2-methyl-phenylamine

Work with 5-Iodo-o-toluidine

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-diamine21304-38-163 % similar 1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 2,5-Xylidine95-78-358 % similar 2,4-Diaminotoluene95-80-758 % similar 5-Iodo-2-methoxyaniline77770-09-355 % similar 3-Amino-4-methylphenol2836-00-254 % similar 5-Fluoro-2-methylaniline367-29-354 % similar 5-Bromo-o-toluidine39478-78-954 % 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 2-Iodo-4-methylaniline29289-13-2 3-Iodo-4-methylbenzenamine35944-64-0 4-Iodobenzylamine39959-59-6 3-Iodobenzylamine696-40-2

Elsewhere

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