Back to Search
Copper(I) Bromide
CAS: 7787-70-4 | BrCu
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7787-70-4
Molecular Formula:
BrCu
Molecular Weight:
143.45 g/mol
Names and Synonyms:
Copper(I) Bromide
Copper bromide (Cu0.5Br0.5)
Cuprous bromide (CuBr)
Copper bromide (Cu4Br4)
Copper(1+) bromide tetramer
Copper(I) bromide
Copper(1+) bromide
Copper monobromide
Cuprous bromide
Copper bromide (CuBr)
Identifiers:
SMILES:
[Br-].[Cu+]
InChI:
InChI=1S/BrH.Cu/h1H;/q;+1/p-1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 143.45 g/mol | Legacy Database |
| density | 4.72 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Copper(I)_bromide None | Legacy Database |
| cas-boiling-point | 1345 °C None | Legacy Database |
| cas-canonical-smile | [Cu]Br None | Legacy Database |
| cas-density | 4.72 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/BrH.Cu/h1H;/q;+1/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=NKNDPYCGAZPOFS-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 504 °C None | Legacy Database |
| cas-name | Copper bromide (CuBr) None | Legacy Database |
| wikipedia-name | Copper(I) bromide None | Legacy Database |
| LogP | -2.9985 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 143.45 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.8479346 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 2 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.0 | RDKit |
