1,2-Diiodobenzene
Properties
- Molecular formula
- C6H4I2
- Molar mass
- 329.91 g/mol
- Exact mass
- 329.8402 Da
- Melting point
- 27 °C
- Boiling point
- 287 °C
- logP
- 2.90Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H315 Causes skin irritation98% of notifiers
- H318 Causes serious eye damage81.6% of notifiers
- H319 Causes serious eye irritation16.3% of notifiers
- H335 May cause respiratory irritation87.8% of notifiers
Aggregated from 49 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
615-42-9SMILES
Ic1ccccc1IInChIKey
BBOLNFYSRZVALD-UHFFFAOYSA-NInChI
InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzene, 1,2-diiodo-
- Benzene, o-diiodo-
- o-Diiodobenzene
- 1,2-Phenylene diiodide
- NSC 29029
Work with 1,2-Diiodobenzene
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
1-Bromo-2-iodobenzene583-55-159 % similar
2-Iodotoluene615-37-259 % similar
1-Fluoro-2-iodobenzene348-52-756 % similar
2-Iodophenol533-58-456 % similar
1-Chloro-2-iodobenzene615-41-856 % similar
2-Iodoaniline615-43-056 % similar
2-Iodobiphenyl2113-51-153 % similar
1-Iodonaphthalene90-14-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.