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2,7-Naphthalenedisulfonic Acid, 4-Amino-6-[2-[4-[[[4-[2-(2,4-Diaminophenyl)Diazenyl]Phenyl]Amino]Sulfonyl]Phenyl]Diazenyl]-5-Hydroxy-3-[2-(4-Nitrophenyl)Diazenyl]-, Potassium Salt (1:2)
CAS: 99576-15-5 | C34H27K2N11O11S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99576-15-5
Molecular Formula:
C34H27K2N11O11S3
Molecular Mass:
940.05 g/mol
Names and Synonyms:
2,7-Naphthalenedisulfonic Acid, 4-Amino-6-[2-[4-[[[4-[2-(2,4-Diaminophenyl)Diazenyl]Phenyl]Amino]Sulfonyl]Phenyl]Diazenyl]-5-Hydroxy-3-[2-(4-Nitrophenyl)Diazenyl]-, Potassium Salt (1:2)
Acid Black NT
2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]amino]sulfonyl]phenyl]diazenyl]-5-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-, potassium salt (1:2)
2,7-Naphthalenedisulfonic acid, 4-amino-6-[[4-[[[4-[(2,4-diaminophenyl)azo]phenyl]amino]sulfonyl]phenyl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]-, dipotassium salt
C.I. Acid Black 210
Luganil Black TS
Acid Black 210
Coriamine Black NT
C.I. 300285
Luganil Black NT
Lederos 210
Acidal-Black CCX
Coriamine Black E 3G
Derma Carbon AF 135
Acid Black BRL
Coriamine Black 3G
Acid Black SF
Everlan Black NGS
Kemacid Black N.SPH
Ambicid Black G
Victalan Black J
Pacid Black 210
Vicoacid Black J
Basacid Black X 32 Liquid
Setaderm Black NT
Airedale Black FGT
Sandal Acid Black NT
Formo Leather Black Supra
Acid Black 6-GNR
Derma Carbon AF
Everlan Black FG
Ratna Acid Black NB
Dermacid Black NG
Everlan Black RS
Indacid Black NT
Triacor Black TNL
Acid Black NTR
Colocid Black NT
Acid Black AB
Vilmacor Black LT
Dycosacid Black NG
Basacid Black X32
Covasol Black NR
Covalene Black NR
Chemiderm Black TS
Ritaleather Black RNT
Everlan Black NG
Daedo Acid Black NT
Vilmacor Black NT
Airedale Black FGL
Dynacid Black 2AO
Apollo Leather Black NT
Korostan Black BN
Everlan Black GS
Lederos Black
Durapel Black NT
Baygenal Black TDE
Identifiers:
SMILES:
Nc1ccc(N=Nc2ccc(NS(=O)(=O)c3ccc(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c(N)c1.[K].[K]
InChI:
InChI=1S/C34H27N11O11S3.2K/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);;
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 | 940.05 g/mol | CAS Common Chemistry |
| 940.0529999999998 g/mol | RDKit | |
| 939.0327770439998 g/mol | RDKit | |
| Canonical SMILES | [K].O=N(=O)C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=C(N=NC6=CC=C(N)C=C6N)C=C5)C(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C34H27N11O11S3.2K/c35-19-1-14-27(26(36)17-19)41-38-20-2-4-23(5-3-20)44-57(49,50)25-12-8-22(9-13-25)40-43-33-29(59(54,55)56)16-18-15-28(58(51,52)53)32(31(37)30(18)34(33)46)42-39-21-6-10-24(11-7-21)45(47)48;;/h1-17,44,46H,35-37H2,(H,51,52,53)(H,54,55,56);; | CAS Common Chemistry |
| InChI Key | InChIKey=SMNOXXBSDFICFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,7-Naphthalenedisulfonic acid, 4-amino-6-[2-[4-[[[4-[2-(2,4-diaminophenyl)diazenyl]phenyl]amino]sulfonyl]phenyl]diazenyl]-5-hydroxy-3-[2-(4-nitrophenyl)diazenyl]-, potassium salt (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 61 | RDKit |
| Hydrogen Bond Acceptors | 18 | RDKit |
| Hydrogen Bond Donors | 7 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 370.49999999999994 Ų | RDKit |
| LogP | 6.979000000000005 | RDKit |
| Molar Refractivity | 225.74609999999987 | RDKit |
