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Molecule
Diboron Tetrachloride
CAS: 13701-67-2 · B2Cl4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13701-67-2
- Molecular Formula
- B2Cl4
- Molecular Mass
- 163.44 g/mol
Identifiers
CAS Registry Number
13701-67-2
SMILES
ClB(Cl)B(Cl)Cl
InChI Key
LCWVIHDXYOFGEG-UHFFFAOYSA-N
InChI
InChI=1S/B2Cl4/c3-1(4)2(5)6
Names and Synonyms
- Diboron Tetrachloride Common Name
- Diborane(4), 1,1,2,2-tetrachloro- Synonym
- Boron chloride (B2Cl4) Synonym
- Diborane(4), tetrachloro- Synonym
- 1,1,2,2-Tetrachlorodiborane(4) Synonym
- Tetrachlorodiborane(4) Synonym
- Tetrachlorodiborane Synonym
- Diboron tetrachloride Synonym
- Diborane tetrachloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.44 g/mol | CAS Common Chemistry |
| 163.436 g/mol | RDKit | |
| 163.42 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diboron_tetrachloride | CAS Common Chemistry |
| Canonical SMILES | ClB(Cl)B(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/B2Cl4/c3-1(4)2(5)6 | CAS Common Chemistry |
| InChI Key | InChIKey=LCWVIHDXYOFGEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,2,2-Tetrachlorodiborane(4) | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9964 | RDKit |
| Molar Refractivity | 34.92 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.89402152 g/mol | RDKit |
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
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MW = 163.44 g/mol. Edit any field — others recompute live.
