Iodine
Properties
- Molecular formula
- I2
- Molar mass
- 253.81 g/mol
- Exact mass
- 253.8089 Da
- Density
- 4.93 g/mL
- Melting point
- 113.6 °C
- Boiling point
- 184.4 °C
- Water solubility
- 300 mg/L (20 °C)
- logP
- 1.77Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Warning
- H312 Harmful in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 053-001-00-3), via PubChem.
Precautionary statements
P261, P271, P273, P280, P302+P352, P304+P340, P317, P321, P362+P364, P391, P501
Identifiers
CAS number
12190-71-5SMILES
IIInChIKey
PNDPGZBMCMUPRI-UHFFFAOYSA-NInChI
InChI=1S/I2/c1-2Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ .¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ .[M + H]+
[M + H]+ Calcd for HI2 254.8162[M + Na]+
[M + Na]+ Calcd for I2Na 276.7982Weigh it out
Type any one amount. The others follow from the molar mass and density.
Work with Iodine
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.