5-Chloro-2-iodobenzenamine

C₆H₅ClINCAS 6828-35-9253.47 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅ClIN
Molar mass: 253.47 g/mol
Exact mass: 252.9155 Da
Melting point: 64–66 °C
logP: 2.53Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed89.1% of notifiers
H302 Harmful if swallowed10.9% of notifiers
H312 Harmful in contact with skin10.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage89.1% of notifiers
H319 Causes serious eye irritation10.9% of notifiers
H332 Harmful if inhaled10.9% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

6828-35-9

SMILES

Nc1cc(Cl)ccc1I

InChIKey

FEOMAFDDLHSVMO-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClIN/c7-4-1-2-5(8)6(9)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, 5-chloro-2-iodo-
Aniline, 5-chloro-2-iodo-
5-Chloro-2-iodoaniline
3-Chloro-6-iodoaniline

Work with 5-Chloro-2-iodobenzenamine

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-Chloro-1,2-phenylenediamine95-83-060 % similar 5-Chloro-2-methylaniline95-79-457 % similar 2,4-Dichloro-1-iodobenzene29898-32-656 % similar 2,5-Dichloroaniline95-82-956 % similar 4-Chloro-1-iodo-2-methylbenzene23399-70-454 % similar 4-Chloro-o-toluidine95-69-254 % similar 2-Amino-4-chlorothiophenol1004-00-852 % similar 2-Iodo-5-methylbenzenamine13194-69-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-iodobenzenamine135050-44-1 2-Chloro-4-iodo-3-methylpyridine153034-88-9 6-Chloro-3-iodo-2-methylpyridine249291-79-0 2-Chloro-4-iodobenzenamine42016-93-3 4-Chloro-2-iodoaniline63069-48-7 3-Chloro-2-iodoaniline70237-25-1 2-Chloro-6-iodoaniline84483-28-3

Elsewhere

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