chempirical

3-Iodo-1,2,4,5-tetramethylbenzene

C10H13ICAS 2100-25-6260.12 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C10H13I
Molar mass
260.12 g/mol
Exact mass
260.0062 Da
Melting point
78.5–79.5 °C
logP
3.52Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P501

Identifiers

CAS number
2100-25-6
SMILES
Cc1cc(C)c(C)c(I)c1C
InChIKey
MCRSYYLHVQGFNR-UHFFFAOYSA-N
InChI
InChI=1S/C10H13I/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3

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Names and synonyms

6 names
  • Benzene, 3-iodo-1,2,4,5-tetramethyl-
  • Iododurene
  • 3-Iododurene
  • 2,3,5,6-Tetramethyliodobenzene
  • 1-Iodo-2,3,5,6-tetramethylbenzene
  • NSC 97133

Reactions

Work with 3-Iodo-1,2,4,5-tetramethylbenzene

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

Pentamethylbenzene700-12-961 % similar 1-Iodo-2,3,4,5,6-pentamethylbenzene3853-91-656 % similar 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-350 % similar Iodomesitylene4028-63-145 % similar 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-343 % similar 2,4-Dibromo-1,3,5-trimethylbenzene6942-99-043 % similar 5-Bromo-2-iodo-1,3-dimethylbenzene206559-43-542 % similar 2-Iodo-1,3-dimethylbenzene608-28-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-tert-Butyl-4-iodobenzene35779-04-5 1-Iodo-2,3,4,5-tetramethylbenzene54509-71-6

Elsewhere

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