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Molecule
4,4′-Bi[2-Methoxybenzenediazonium] Tetrachlorozincate
CAS: 14263-94-6 · C14H12Cl4N4O2Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 14263-94-6
- Molecular Formula
- C14H12Cl4N4O2Zn
- Molecular Mass
- 475.48 g/mol
Identifiers
CAS Registry Number
14263-94-6
SMILES
COc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChI Key
GPPKNJIWDULNQH-UHFFFAOYSA-J
InChI
InChI=1S/C14H12N4O2.4ClH.Zn/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2;;;;;/h3-8H,1-2H3;4*1H;/q+2;;;;;+2/p-4
Names and Synonyms
- 4,4′-Bi[2-Methoxybenzenediazonium] Tetrachlorozincate Systematic Name
- [1,1′-Biphenyl]-4,4′-bis(diazonium), 3,3′-dimethoxy-, (T-4)-tetrachlorozincate(2-) (1:1) Synonym
- Benzenediazonium, 4,4′-bis[o-methoxy-, tetrachlorozincate(2-) (2:1) Synonym
- 4,4′-Bi[2-methoxybenzenediazonium] tetrachlorozincate Synonym
- Zincate(2-), tetrachloro-, (T-4)-, 3,3′-dimethoxy[1,1′-biphenyl]-4,4′-bis(diazonium) (1:1) Synonym
- 2-Methoxy-4-(3-methoxy-4-diazobenzene)benzenediazonium tetrachlorozincate Synonym
- Fast Blue B Salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 475.48 g/mol | CAS Common Chemistry |
| 475.47799999999984 g/mol | RDKit | |
| 475.478 g/mol | RDKit | |
| 479.488 g/mol | chempirical lib | |
| Canonical SMILES | N#[N+]C=1C=CC(=CC1OC)C2=CC=C([N+]#N)C(OC)=C2.[Cl-][Zn+2]([Cl-])([Cl-])[Cl-] | CAS Common Chemistry |
| InChI | InChI=1S/C14H12N4O2.4ClH.Zn/c1-19-13-7-9(3-5-11(13)17-15)10-4-6-12(18-16)14(8-10)20-2;;;;;/h3-8H,1-2H3;4*1H;/q+2;;;;;+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=GPPKNJIWDULNQH-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | 4,4′-Bi[2-methoxybenzenediazonium] tetrachlorozincate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 74.75999999999999 Ų | RDKit |
| 74.76 Ų | RDKit | |
| LogP | -7.646540000000006 | RDKit |
| -7.6465 | RDKit | |
| Molar Refractivity | 74.47000000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 471.900578544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 475.48 g/mol. Edit any field — others recompute live.
