2-Iodobenzyl chloride

C₇H₆ClICAS 59473-45-9252.48 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₆ClI
Molar mass: 252.48 g/mol
Exact mass: 251.9203 Da
Melting point: 28.5–29.5 °C
logP: 3.03Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

59473-45-9

SMILES

ClCc1ccccc1I

InChIKey

FTMNWZHKQGKKAU-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClI/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-(chloromethyl)-2-iodo-
Toluene, α-chloro-o-iodo-
1-(Chloromethyl)-2-iodobenzene
o-Iodobenzyl chloride
α-Chloro-o-iodotoluene
1-Chloromethyl-2-iodobenzene

Work with 2-Iodobenzyl chloride

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

α,Α′-Dichloro-O-xylene612-12-462 % similar 1-Ethyl-2-iodobenzene18282-40-154 % similar 2-Iodobenzyl alcohol5159-41-154 % similar 2-Methylbenzyl chloride552-45-454 % similar 2-Chlorobenzyl chloride611-19-850 % similar 2-Fluorobenzyl chloride345-35-748 % similar 1,2-Diiodobenzene615-42-948 % similar 2-(Chloromethyl)benzoyl chloride42908-86-145 % 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 2-Chloro-4-iodo-1-methylbenzene83846-48-4

Elsewhere

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