Back to Search
Benzenediazonium, 4-(Benzoylamino)-2,5-Diethoxy-, (T-4)-Tetrachlorozincate(2-) (2:1)
CAS: 5486-84-0 | C17H18Cl4N3O3Zn-
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5486-84-0
Molecular Formula:
C17H18Cl4N3O3Zn-
Molecular Mass:
519.55 g/mol
Names and Synonyms:
Benzenediazonium, 4-(Benzoylamino)-2,5-Diethoxy-, (T-4)-Tetrachlorozincate(2-) (2:1)
Benzenediazonium, 4-(benzoylamino)-2,5-diethoxy-, (T-4)-tetrachlorozincate(2-) (2:1)
Benzenediazonium, 4-benzamido-2,5-diethoxy-, tetrachlorozincate(2-) (2:1)
Bis(4-benzamido-2,5-diethoxybenzenediazonium) tetrachlorozincate
Bis(4-benzamido-2,5-diethoxybenzenediazonium) chlorozincate
Zincate(2-), tetrachloro-, (T-4)-, bis[4-(benzoylamino)-2,5-diethoxybenzenediazonium]
4-Diazo-2,5-diethoxy-N-benzoylaniline chloride.1/2 zinc chloride
NSC 59801
Ferangi Blue
Identifiers:
SMILES:
CCOc1cc([N-]C(=O)c2ccccc2)c(OCC)cc1[N+]#N.Cl.[Cl-].[Cl-].[Cl-].[Zn+2]
InChI:
InChI=1S/C17H17N3O3.4ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h5-11H,3-4H2,1-2H3;4*1H;/q;;;;;+2/p-3
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 | 519.55 g/mol | CAS Common Chemistry |
| 519.5509999999999 g/mol | RDKit | |
| 515.9399179359101 g/mol | RDKit | |
| Canonical SMILES | N#[N+]C=1C=C(OCC)C(=CC1OCC)NC(=O)C=2C=CC=CC2.[Cl-][Zn+2]([Cl-])([Cl-])[Cl-] | CAS Common Chemistry |
| InChI | InChI=1S/C17H17N3O3.4ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;;/h5-11H,3-4H2,1-2H3;4*1H;/q;;;;;+2/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=WIMVRSADUDSGIO-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Benzenediazonium, 4-(benzoylamino)-2,5-diethoxy-, (T-4)-tetrachlorozincate(2-) (2:1) | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 77.78 Ų | RDKit |
| LogP | -3.7545199999999963 | RDKit |
| Molar Refractivity | 94.56350000000003 | RDKit |
