2,4-Dichloro-6-iodobenzenamine

C₆H₄Cl₂INCAS 697-90-5287.91 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄Cl₂IN
Molar mass: 287.91 g/mol
Exact mass: 286.8766 Da
Melting point: 84 °C
logP: 3.18Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

697-90-5

SMILES

Nc1c(Cl)cc(Cl)cc1I

InChIKey

YJRSMJTVXWBFJJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2IN/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2,4-dichloro-6-iodo-
Aniline, 2,4-dichloro-6-iodo-
2,4-Dichloro-6-iodoaniline
2,4-Dichloro-6-iodophenylamine

Work with 2,4-Dichloro-6-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

2,4,6-Trichloroaniline634-93-567 % similar 4-Chloro-2-fluoro-6-iodoaniline216393-67-866 % similar 2,4-Dichloro-6-methylaniline30273-00-859 % similar 2-Chloro-6-iodoaniline84483-28-357 % similar 2-Bromo-4,6-dichloroaniline697-86-953 % similar 2-Amino-3,5-dichlorobenzonitrile36764-94-048 % similar 2,4-Dichloro-6-(trifluoromethyl)aniline62593-17-348 % similar 1,4-Dichloro-2-iodobenzene29682-41-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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