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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 Mass:
143.45 g/mol
Names and Synonyms:
Copper(I) Bromide
Copper bromide (CuBr)
Cuprous bromide
Copper monobromide
Copper(1+) bromide
Copper(I) bromide
Copper(1+) bromide tetramer
Copper bromide (Cu4Br4)
Cuprous bromide (CuBr)
Copper bromide (Cu0.5Br0.5)
Identifiers:
SMILES:
[Br-].[Cu+]
InChI:
InChI=1S/BrH.Cu/h1H;/q;+1/p-1
Key Properties
Boiling Point
1345 °C
CAS Common Chemistry
Melting Point
504 °C
CAS Common Chemistry
Density
4.72 g/cm³
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 | 143.45 g/mol | CAS Common Chemistry |
| 141.8479346 g/mol | RDKit | |
| Density | 4.72 g/cm³ | CAS Common Chemistry |
| 4.72 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Copper(I)_bromide | CAS Common Chemistry |
| Boiling Point | 1345 °C | CAS Common Chemistry |
| Canonical SMILES | [Cu]Br | CAS Common Chemistry |
| InChI | InChI=1S/BrH.Cu/h1H;/q;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NKNDPYCGAZPOFS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 504 °C | CAS Common Chemistry |
| Name | Copper bromide (CuBr) | CAS Common Chemistry |
| Copper(I) bromide | 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 | -2.9985 | RDKit |
| Molar Refractivity | 0.0 | RDKit |
