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Molecule
Diiodomethane
CAS: 75-11-6 · CH2I2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-11-6
- Molecular Formula
- CH2I2
- Molecular Mass
- 267.84 g/mol
Identifiers
CAS Registry Number
75-11-6
SMILES
ICI
InChI Key
NZZFYRREKKOMAT-UHFFFAOYSA-N
InChI
InChI=1S/CH2I2/c2-1-3/h1H2
Names and Synonyms
- Diiodomethane Common Name
- Methane, diiodo- Synonym
- Diiodomethane Synonym
- Methylene iodide Synonym
- Methylene diiodide Synonym
- NSC 35804 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 267.84 g/mol | CAS Common Chemistry |
| 267.835 g/mol | RDKit | |
| Density | 3.10 g/cm³ | CAS Common Chemistry |
| 3.10 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diiodomethane | CAS Common Chemistry |
| Boiling Point | 182 °C | CAS Common Chemistry |
| Canonical SMILES | ICI | CAS Common Chemistry |
| InChI | InChI=1S/CH2I2/c2-1-3/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NZZFYRREKKOMAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 6.1 °C | CAS Common Chemistry |
| Name | Diiodomethane | CAS Common Chemistry |
| Heavy Atom Count | 3 | 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 | 1.8139 | RDKit |
| Molar Refractivity | 32.907 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 267.824596064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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
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Quick conversion
MW = 267.84 g/mol; density = 3.100 g/mL. Edit any field — others recompute live.
