4-Chloro-1-iodo-2-methylbenzene

C7H6ClICAS 23399-70-4252.48 g/mol

Open in Covalent MOL file
ClI
Aryl halide

Properties

Molecular formula
C7H6ClI
Molar mass
252.48 g/mol
Exact mass
251.9203 Da
logP
3.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
23399-70-4
SMILES
CC1=C(C=CC(=C1)Cl)I
InChIKey
ZZNUQVQAJVZRKW-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 5-Chloro-2-iodotoluene

Work with 4-Chloro-1-iodo-2-methylbenzene

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-dimethylbenzene615-60-163 % similar 2,5-Dichlorotoluene19398-61-958 % similar 2,4-Dichloro-1-iodobenzene29898-32-658 % similar 4-Chloro-o-toluidine95-69-256 % similar 1-Iodo-2,4-dimethylbenzene4214-28-254 % similar 1-Bromo-4-chloro-2-methylbenzene14495-51-354 % similar 4-Chloro-2-methylphenol1570-64-554 % similar 2-Bromo-4-chloro-1-iodobenzene31928-44-654 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-4-iodo-2-methylbenzene116632-41-8 2-Chloro-1-iodo-4-methylbenzene116632-42-9 4-Chloro-2-iodotoluene33184-48-4 2-Chloro-6-iodotoluene42048-11-3 3-Chloro-2-iodotoluene5100-98-1 2-Iodobenzyl chloride59473-45-9 2-Chloro-4-iodo-1-methylbenzene83846-48-4

Elsewhere

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