1,2-Dichloro-4-iodobenzene

C₆H₃Cl₂ICAS 20555-91-3272.89 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₆H₃Cl₂I
Molar mass: 272.89 g/mol
Exact mass: 271.8657 Da
Melting point: 30.5 °C
logP: 3.60Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed68.4% of notifiers
H312 Harmful in contact with skin68.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled68.4% of notifiers
H335 May cause respiratory irritation94.7% of notifiers

Aggregated from 19 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

20555-91-3

SMILES

Clc1ccc(I)cc1Cl

InChIKey

NADPFZNWCQIJJW-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H

Weigh it out

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

Names and synonyms

6 names

Benzene, 1,2-dichloro-4-iodo-
3,4-Dichloroiodobenzene
3,4-Dichlorophenyl iodide
3,4-Dichloro-1-iodobenzene
4-Iodo-1,2-dichlorobenzene
1-Iodo-3,4-dichlorobenzene

Work with 1,2-Dichloro-4-iodobenzene

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

1-Chloro-4-iodo-2-methylbenzene116632-41-863 % similar 2-Chloro-4-iodo-1-methylbenzene83846-48-463 % similar 2-Chloro-1-fluoro-4-iodobenzene156150-67-360 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-060 % similar 2-Chloro-4-iodobenzenamine42016-93-360 % similar 1-Bromo-2-chloro-4-iodobenzene535934-25-960 % similar 2-Chloro-5-iodobenzotrifluoride260355-20-254 % similar 2-Chloro-5-iodobenzonitrile289039-29-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dichloro-2-iodobenzene19230-28-5 1,2-Dichloro-3-iodobenzene2401-21-0 1,4-Dichloro-2-iodobenzene29682-41-5 2,4-Dichloro-1-iodobenzene29898-32-6 1,3-Dichloro-5-iodobenzene3032-81-3

Elsewhere

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