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Chromate(3-), Bis[3-(Hydroxy-Κo)-4-[2-[2-(Hydroxy-Κo)-1-Naphthalenyl]Diazenyl-Κn1]-1-Naphthalenesulfonato(3-)]-, Sodium Hydrogen (1:2:1)
CAS: 12392-64-2 | C40H23CrN4Na2O10S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
12392-64-2
Molecular Formula:
C40H23CrN4Na2O10S2
Molecular Weight:
881.752 g/mol
Names and Synonyms:
Chromate(3-), Bis[3-(Hydroxy-Κo)-4-[2-[2-(Hydroxy-Κo)-1-Naphthalenyl]Diazenyl-Κn1]-1-Naphthalenesulfonato(3-)]-, Sodium Hydrogen (1:2:1)
Bemaplex Marine Blue C-RD
Lanyl Navy Blue TW
Neutrilan Navy M-BR
Gryfalan Garnet RL
Orbolan Marine Blue S-RL
Acidol Dark Blue M-TR
Gryfalan Navy Blue RL
Luganil Blue MRB
Rylan Blue TR
Acid Blue 161
Yamada Neo Fast Blue B
Tertroxane Blue B
Pilate Fast Blue BN
Pharmalan Navy Blue B
Palatine Fast Blue BN
Erganil Blue BC
Efdolan Blue BN
Chrome Intra Blue 2R
Chromacyl Blue R
Aizen Opal Blue BH
C.I. 15706
C.I. Acid Blue 161
C.I. Acid Blue 193
C.I. 15707
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, chromium complex
Chromate(3-), bis[3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, disodium hydrogen
Chromate(3-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-1-naphthalenyl]diazenyl-κN1]-1-naphthalenesulfonato(3-)]-, sodium hydrogen (1:2:1)
Navy M-BRX
Neutrilan Blue M-BR
Lanasyn Navy M-DNL
Neutrilan Navy M-BRX
Acid Blue 193
Irgalan Blue 2R
Dycosacid Complex Blue BN
Roven S 2 Blue G
Kemacid Dark Blue MTR
Acid Dark Blue MTR
Colorosacid Blue 193
Magra Dark Blue MTR
Acid Blue D-JR
Acid Blue MTR
Borulan Navy Blue RL
Rathidol Dark Blue M-TR
Solcorom Dark Blue PMTR
Vicoacid Navy Blue RL
Navitan Dark Blue MTR
Airedale Fast Blue
Acid Blue RTN
Dyalan Blue S-R
Vopsider Dark Blue MMTR
Cromoxyl Blue WB
Anadurm Blue S-R
Coriamine Fast Navy Blue S-RL
Navidol Dark Blue MTR
Desher Blue G
Rylan Blue T 2R
Cololan Navy Blue RL
Triasolan Blue DR
Lederos S 2 Blue G
Triamet Blue 2R
Dinalan Dark Blue MTR
Ratna Acid Blue MTR
Eurolana Blue SB
Stelane Navy Blue 2SB
Acid Dark Blue MS
Pacid Navy Blue RL
Koroset Blue R
Dermacid Blue MTR
Lanasyn Navy S-DNL
Lanasyn Blue S-DNL
Identifiers:
SMILES:
O=S(=O)(O)c1cc([O-])c(N=Nc2c([O-])ccc3ccccc23)c2ccccc12.O=S(=O)([O-])c1cc([O-])c(N=Nc2c([O-])ccc3ccccc23)c2ccccc12.[Cr+3].[Na+].[Na+]
InChI:
InChI=1S/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-5
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 881.75 g/mol | Legacy Database |
| cas-canonical-smile | [H+].[Na+].O=S(=O)([O-])C=1C=C2[O-][Cr+3]345([O-]C=6C=CC=7C=CC=CC7C6N=[N]3C2=C8C=CC=CC81)[O-]C=9C=CC=%10C=CC=CC%10C9N=[N]5C=%11C([O-]4)=CC(=C%12C=CC=CC%12%11)S(=O)(=O)[O-] None | Legacy Database |
| cas-inchi | InChI=1S/2C20H14N2O5S.Cr.2Na/c2*23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;;;/h2*1-11,23-24H,(H,25,26,27);;;/q;;+3;2*+1/p-5 None | Legacy Database |
| cas-inchi-key | InChIKey=LCZPIYCNOWJWPQ-UHFFFAOYSA-I None | Legacy Database |
| cas-name | Chromate(3-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-1-naphthalenyl]diazenyl-κN1]-1-naphthalenesulfonato(3-)]-, sodium hydrogen (1:2:1) None | Legacy Database |
| LogP | 1.2674999999999996 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 881.752 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 881.005605996 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 59 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 13 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 6 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 8 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 253.25 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 199.7057999999997 | RDKit |
