2-Iodo-1,3-dimethylbenzene

C8H9ICAS 608-28-6232.06 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C8H9I
Molar mass
232.06 g/mol
Exact mass
231.9749 Da
Density
1.625 g/mL (at 25 °C)
Melting point
11.2 °C
Boiling point
229.5 °C
logP
2.91Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 46 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
608-28-6
SMILES
Cc1cccc(C)c1I
InChIKey
QTUGGVBKWIYQSS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 2-iodo-1,3-dimethyl-
  • m-Xylene, 2-iodo-
  • 2,6-Dimethyliodobenzene
  • 2-Iodo-m-xylene
  • 2,6-Dimethylphenyl iodide
  • NSC 9265
  • 2,6-Dimethyl-1-iodobenzene
  • 1,3-Dimethyl-2-iodobenzene
  • 1-Iodo-2,6-dimethylbenzene

Work with 2-Iodo-1,3-dimethylbenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-2-iodotoluene5100-98-167 % similar 1-Fluoro-2-iodo-3-methylbenzene883502-14-564 % similar O-Xylene95-47-653 % similar 1,2,3-Trimethylbenzene526-73-853 % similar 1,5-Dimethylnaphthalene571-61-953 % similar 2-Iodo-3-methylbenzoic acid108078-14-450 % similar 2-Chloro-1,3-dimethylbenzene6781-98-250 % similar 2,6-Dimethylbenzenethiol118-72-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-1,4-dimethylbenzene1122-42-5 Phenethyl iodide17376-04-4 1-Ethyl-2-iodobenzene18282-40-1 1-Iodo-3,5-dimethylbenzene22445-41-6 1-Ethyl-4-iodobenzene25309-64-2 1-Iodo-2,3-dimethylbenzene31599-60-7 1-Iodo-3,4-dimethylbenzene31599-61-8 1-Iodo-2,4-dimethylbenzene4214-28-2

Elsewhere

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