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Molecule
Benzenediazonium, 4-(Dimethylamino)-, Trichlorozincate(1-) (1:1)
CAS: 6087-56-5 · C8H10Cl3N3Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6087-56-5
- Molecular Formula
- C8H10Cl3N3Zn
- Molecular Mass
- 319.94 g/mol
Identifiers
CAS Registry Number
6087-56-5
SMILES
CN(C)c1ccc([N+]#N)cc1.[Cl-].[Cl-].[Cl-].[Zn+2]
InChI Key
SIMFPAVQCFHVGM-UHFFFAOYSA-K
InChI
InChI=1S/C8H10N3.3ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;;/h3-6H,1-2H3;3*1H;/q+1;;;;+2/p-3
Names and Synonyms
- Benzenediazonium, 4-(Dimethylamino)-, Trichlorozincate(1-) (1:1) Systematic Name
- Benzenediazonium, 4-(dimethylamino)-, trichlorozincate(1-) (1:1) Synonym
- Benzenediazonium, p-(dimethylamino)-, trichlorozincate(1-) Synonym
- Benzenediazonium, 4-(dimethylamino)-, trichlorozincate(1-) Synonym
- p-(Dimethylamino)benzenediazonium trichlorozincate Synonym
- p-Dimethylaminobenzenediazonium chlorozincate Synonym
- Zincate(1-), trichloro-, 4-(dimethylamino)benzenediazonium Synonym
- 4-Diazo-N,N-dimethylaniline chloride zinc chloride double salt Synonym
- 4-Dimethylaminobenzenediazonium chloride zinc chloride double salt Synonym
- p-Dimethylaminobenzenediazonium chloride zinc chloride double salt Synonym
- Diazo 4VZS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 319.94 g/mol | CAS Common Chemistry |
| 319.938 g/mol | RDKit | |
| 323.951 g/mol | chempirical lib | |
| Canonical SMILES | N#[N+]C1=CC=C(C=C1)N(C)C.[Cl-][Zn+2]([Cl-])[Cl-] | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N3.3ClH.Zn/c1-11(2)8-5-3-7(10-9)4-6-8;;;;/h3-6H,1-2H3;3*1H;/q+1;;;;+2/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=SIMFPAVQCFHVGM-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Benzenediazonium, 4-(dimethylamino)-, trichlorozincate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 31.39 Ų | RDKit |
| LogP | -6.753319999999998 | RDKit |
| -6.7533 | RDKit | |
| Molar Refractivity | 45.51300000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 316.92317255999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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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 = 319.94 g/mol. Edit any field — others recompute live.
