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Iodonium, Diphenyl-, Bromide (1:1)
CAS: 1483-73-4 | C12H10BrI
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1483-73-4
Molecular Formula:
C12H10BrI
Molecular Mass:
361.02 g/mol
Names and Synonyms:
Iodonium, Diphenyl-, Bromide (1:1)
Iodonium, diphenyl-, bromide (1:1)
Iodonium, diphenyl-, bromide
Diphenyliodonium bromide
NSC 8980
bromo(diphenyl)-λ 3-iodane
Identifiers:
SMILES:
[Br-].c1ccc([I+]c2ccccc2)cc1
InChI:
InChI=1S/C12H10I.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1
Key Properties
Melting Point
208 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 361.02 g/mol | CAS Common Chemistry |
| 361.02000000000004 g/mol | RDKit | |
| 359.90106041999996 g/mol | RDKit | |
| Canonical SMILES | [Br-].[I+](C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10I.BrH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10H;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=LGPSGXJFQQZYMS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 208 °C (decomp) | CAS Common Chemistry |
| Name | Iodonium, diphenyl-, bromide (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.1809999999999965 | RDKit |
| Molar Refractivity | 50.27800000000003 | RDKit |
