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Chromate(1-), Bis[1-[2-(Hydroxy-Κo)-4-Nitrophenyl]Diazenyl-2-Naphthalenolato(2-)-Κo]-, Hydrogen (1:1), (Oc-6-22′)-
CAS: 32517-36-5 | C32H19CrN6O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
32517-36-5
Molecular Formula:
C32H19CrN6O8
Molecular Mass:
667.53 g/mol
Names and Synonyms:
Chromate(1-), Bis[1-[2-(Hydroxy-Κo)-4-Nitrophenyl]Diazenyl-2-Naphthalenolato(2-)-Κo]-, Hydrogen (1:1), (Oc-6-22′)-
Chromate(1-), bis[1-[2-(hydroxy-κO)-4-nitrophenyl]diazenyl-2-naphthalenolato(2-)-κO]-, hydrogen (1:1), (OC-6-22′)-
Chromate(1-), bis[1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)]-, hydrogen
Chromate(1-), bis[1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphthalenolato(2-)]-, hydrogen, (OC-6-22′)-
C.I. Acid Black 123
Chromate(1-), bis[1-[[2-(hydroxy-κO)-4-nitrophenyl]azo-κN1]-2-naphthalenolato(2-)-κO]-, hydrogen, (OC-6-22′)-
2-Naphthalenol, 1-[(2-hydroxy-4-nitrophenyl)azo]-, chromium complex
Vali Fast Black 3804
C.I. Acid Black 63
Nylomine Black D-R
Zapon Fast Black RE
Zapon Fast Black B
C.I. Solvent Black 34
Kayakalan Black RBL
Vialon Fast Black R
Amichrome Light Black RBLL
Ortolan Black RL
Solvent Black 34
C.I. 12195
Trialan Black RB
Eukesolar Black RL
Dorolan Black RB
Acid Black 63
Identifiers:
SMILES:
O=[N+]([O-])c1ccc(N=Nc2c([O-])ccc3ccccc23)c(O)c1.O=[N+]([O-])c1ccc(N=Nc2c([O-])ccc3ccccc23)c([O-])c1.[Cr+3]
InChI:
InChI=1S/2C16H11N3O4.Cr/c2*20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;/h2*1-9,20-21H;/q;;+3/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 | 667.53 g/mol | CAS Common Chemistry |
| 667.5340000000003 g/mol | RDKit | |
| 667.066944068 g/mol | RDKit | |
| Canonical SMILES | [H+].O=N(=O)C1=CC=C2N=[N]3C=4C([O-][Cr+3]563([O-]C7=CC=C8C=CC=CC8=C7[N]6=NC9=CC=C(C=C9[O-]5)N(=O)=O)[O-]C2=C1)=CC=C%10C=CC=CC%104 | CAS Common Chemistry |
| InChI | InChI=1S/2C16H11N3O4.Cr/c2*20-14-8-5-10-3-1-2-4-12(10)16(14)18-17-13-7-6-11(19(22)23)9-15(13)21;/h2*1-9,20-21H;/q;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=DUPQRZOWWZZGJE-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Chromate(1-), bis[1-[2-(hydroxy-κO)-4-nitrophenyl]diazenyl-2-naphthalenolato(2-)-κO]-, hydrogen (1:1), (OC-6-22′)- | CAS Common Chemistry |
| Heavy Atom Count | 47 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 225.13 Ų | RDKit |
| LogP | 7.2507000000000055 | RDKit |
| Molar Refractivity | 162.4435999999998 | RDKit |
