Iodomesitylene

C9H11ICAS 4028-63-1246.09 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C9H11I
Molar mass
246.09 g/mol
Exact mass
245.9905 Da
Melting point
30.5 °C
logP
3.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
4028-63-1
SMILES
Cc1cc(C)c(I)c(C)c1
InChIKey
GTPNXFKONRIHRW-UHFFFAOYSA-N
InChI
InChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 2-iodo-1,3,5-trimethyl-
  • Mesitylene, 2-iodo-
  • 2-Iodo-1,3,5-trimethylbenzene
  • 2-Iodomesitylene
  • 1-Iodo-2,4,6-trimethylbenzene
  • 2,4,6-Trimethyliodobenzene
  • 2,4,6-Trimethylphenyl iodide
  • Mesityl iodide
  • 1,3,5-Trimethyl-2-iodobenzene
  • Iodo-2,4,6-trimethylbenzene
  • NSC 68044

Work with Iodomesitylene

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

Isodurene527-53-755 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-555 % similar 4-Iodo-3,5-dimethyl-phenol80826-86-455 % similar 3,5-Dibromo-4-iodotoluene175278-10-152 % similar 2,4,6-Trimethylthiophenol1541-10-250 % similar 2-Chloromesitylene1667-04-550 % similar Trimesitylphosphine23897-15-650 % similar Mesityl fluoride392-69-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Iodo-4-isopropylbenzene17356-09-1 1-Iodo-2-isopropylbenzene19099-54-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook