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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)
Common Name
Bemaplex Marine Blue C-RD
Synonym
Lanyl Navy Blue TW
Synonym
Neutrilan Navy M-BR
Synonym
Gryfalan Garnet RL
Synonym
Orbolan Marine Blue S-RL
Synonym
Acidol Dark Blue M-TR
Synonym
Gryfalan Navy Blue RL
Synonym
Luganil Blue MRB
Synonym
Rylan Blue TR
Synonym
Acid Blue 161
Synonym
Yamada Neo Fast Blue B
Synonym
Tertroxane Blue B
Synonym
Pilate Fast Blue BN
Synonym
Pharmalan Navy Blue B
Synonym
Palatine Fast Blue BN
Synonym
Erganil Blue BC
Synonym
Efdolan Blue BN
Synonym
Chrome Intra Blue 2R
Synonym
Chromacyl Blue R
Synonym
Aizen Opal Blue BH
Synonym
C.I. 15706
Synonym
C.I. Acid Blue 161
Synonym
C.I. Acid Blue 193
Synonym
C.I. 15707
Synonym
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, chromium complex
Synonym
Chromate(3-), bis[3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonato(3-)]-, disodium hydrogen
Synonym
Chromate(3-), bis[3-(hydroxy-κO)-4-[2-[2-(hydroxy-κO)-1-naphthalenyl]diazenyl-κN1]-1-naphthalenesulfonato(3-)]-, sodium hydrogen (1:2:1)
Synonym
Navy M-BRX
Synonym
Neutrilan Blue M-BR
Synonym
Lanasyn Navy M-DNL
Synonym
Neutrilan Navy M-BRX
Synonym
Acid Blue 193
Synonym
Irgalan Blue 2R
Synonym
Dycosacid Complex Blue BN
Synonym
Roven S 2 Blue G
Synonym
Kemacid Dark Blue MTR
Synonym
Acid Dark Blue MTR
Synonym
Colorosacid Blue 193
Synonym
Magra Dark Blue MTR
Synonym
Acid Blue D-JR
Synonym
Acid Blue MTR
Synonym
Borulan Navy Blue RL
Synonym
Rathidol Dark Blue M-TR
Synonym
Solcorom Dark Blue PMTR
Synonym
Vicoacid Navy Blue RL
Synonym
Navitan Dark Blue MTR
Synonym
Airedale Fast Blue
Synonym
Acid Blue RTN
Synonym
Dyalan Blue S-R
Synonym
Vopsider Dark Blue MMTR
Synonym
Cromoxyl Blue WB
Synonym
Anadurm Blue S-R
Synonym
Coriamine Fast Navy Blue S-RL
Synonym
Navidol Dark Blue MTR
Synonym
Desher Blue G
Synonym
Rylan Blue T 2R
Synonym
Cololan Navy Blue RL
Synonym
Triasolan Blue DR
Synonym
Lederos S 2 Blue G
Synonym
Triamet Blue 2R
Synonym
Dinalan Dark Blue MTR
Synonym
Ratna Acid Blue MTR
Synonym
Eurolana Blue SB
Synonym
Stelane Navy Blue 2SB
Synonym
Acid Dark Blue MS
Synonym
Pacid Navy Blue RL
Synonym
Koroset Blue R
Synonym
Dermacid Blue MTR
Synonym
Lanasyn Navy S-DNL
Synonym
Lanasyn Blue S-DNL
Synonym
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 |