3-Chloro-4-iodobenzenamine

C₆H₅ClINCAS 135050-44-1253.47 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: 65 °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 skin95.7% of notifiers
H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H332 Harmful if inhaled95.7% of notifiers
H335 May cause respiratory irritation95.7% 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

135050-44-1

SMILES

Nc1ccc(I)c(Cl)c1

InChIKey

ONZHMGRKWJMTDE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 3-chloro-4-iodo-
3-Chloro-4-iodoaniline
3-Chloro-4-iodophenylamine
NSC 137036

Work with 3-Chloro-4-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

3,4-Dichloroaniline95-76-160 % similar 3-Chloro-4-methylaniline95-74-957 % similar 2,4-Dichloro-1-iodobenzene29898-32-656 % similar 2-Chloro-p-phenylenediamine615-66-756 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-954 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-952 % similar 4-Bromo-3-chloroaniline21402-26-652 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 5-Chloro-2-iodobenzenamine6828-35-9 3-Chloro-2-iodoaniline70237-25-1 2-Chloro-6-iodoaniline84483-28-3

Elsewhere

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