1-Iodo-3,4-dimethylbenzene
Properties
- Molecular formula
- C8H9I
- Molar mass
- 232.06 g/mol
- Exact mass
- 231.9749 Da
- Melting point
- 228–235 °C
- Boiling point
- 225 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
31599-61-8SMILES
Cc1ccc(I)cc1CInChIKey
CSFRCLYFVINMBZ-UHFFFAOYSA-NInChI
InChI=1S/C8H9I/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzene, 4-iodo-1,2-dimethyl-
- o-Xylene, 4-iodo-
- 4-Iodo-1,2-dimethylbenzene
- 4-Iodo-o-xylene
- 1,2-Dimethyl-4-iodobenzene
- 3,4-Dimethyliodobenzene
- 3,4-Dimethylphenyl iodide
Work with 1-Iodo-3,4-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
4,4'-Diiodo-2,2'-dimethylbiphenyl69571-02-467 % similar
1-Chloro-4-iodo-2-methylbenzene116632-41-858 % similar
4-Iodo-2-methylaniline13194-68-858 % similar
2-Bromo-5-iodotoluene202865-85-858 % similar
2-Fluoro-4-iodo-1-methylbenzene39998-81-758 % similar
1-Fluoro-4-iodo-2-methylbenzene452-68-658 % similar
2-Chloro-4-iodo-1-methylbenzene83846-48-458 % similar
5-Iodo-o-toluidine83863-33-658 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.