Back to Search
Molecule
Iodine
CAS: 7553-56-2 · I2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7553-56-2
- Molecular Formula
- I2
- Molecular Mass
- 253.81 g/mol
Identifiers
CAS Registry Number
7553-56-2
SMILES
II
InChI Key
PNDPGZBMCMUPRI-UHFFFAOYSA-N
InChI
InChI=1S/I2/c1-2
Names and Synonyms
- Iodine Common Name
- Iodine Synonym
- Iodine crystals Synonym
- Iodine sublimed Synonym
- Iodine colloidal Synonym
- Eranol Synonym
- Iodine (127I2) Synonym
- Molecular iodine Synonym
- Iosan Superdip Synonym
- Actomar Synonym
- Diiodine Synonym
- Jodosan Synonym
- Diatomic iodine Synonym
- Iodine molecule (I2) Synonym
- Iodel FD Synonym
- NSC 42355 Synonym
- Tegodyne Synonym
- DentaPure DP 90 Synonym
- eXIA 160 Synonym
- Iodosteryl Synonym
- Biojodis Synonym
- Yoddar Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 253.81 g/mol | CAS Common Chemistry |
| 253.808946 g/mol | RDKit | |
| 253.808 g/mol | RDKit | |
| Density | 4.90 g/cm³ | CAS Common Chemistry |
| 4.9 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | II | CAS Common Chemistry |
| InChI | InChI=1S/I2/c1-2 | CAS Common Chemistry |
| InChI Key | InChIKey=PNDPGZBMCMUPRI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 113.7 °C | CAS Common Chemistry |
| Name | Iodine | CAS Common Chemistry |
| Heavy Atom Count | 2 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.7714 | RDKit |
| Molar Refractivity | 28.04 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 253.808 g/mol | RDKit |
| Boiling Point | 184.4 °C @ 800 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 253.81 g/mol; density = 4.900 g/mL. Edit any field — others recompute live.
