1-Chloro-4-iodo-2-methylbenzene

C7H6ClICAS 116632-41-8252.48 g/mol

Open in Covalent MOL file
ICl
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 42 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
116632-41-8
SMILES
Cc1cc(I)ccc1Cl
InChIKey
MMBDKGFWRIYSRD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Benzene, 1-chloro-4-iodo-2-methyl-
  • 2-Chloro-5-iodotoluene

Work with 1-Chloro-4-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

1,2-Dichloro-4-iodobenzene20555-91-363 % similar 1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 2,5-Dichlorotoluene19398-61-958 % similar 4-Chloro-M-xylene95-66-958 % similar 4,4'-Diiodo-2,2'-dimethylbiphenyl69571-02-456 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-054 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-154 % similar 5-Bromo-2-chlorotoluene54932-72-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-1-iodo-4-methylbenzene116632-42-9 4-Chloro-1-iodo-2-methylbenzene23399-70-4 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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