Back to Search
C.I. Mordant Black 17
CAS: 2538-85-4 | C20H14N2NaO5S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2538-85-4
Molecular Formula:
C20H14N2NaO5S
Molecular Weight:
417.3980000000001 g/mol
Names and Synonyms:
C.I. Mordant Black 17
Synonym
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
Synonym
C.I. Mordant Black 17, monosodium salt
Synonym
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt
Synonym
C.I. Mordant Black 17
Synonym
Eriochrome Blue Black R
Synonym
C.I. 15705
Synonym
Acid Chrome Blue
Synonym
Acid Chrome Dark Blue ERN
Synonym
Alizarine Blue Black R
Synonym
Alizarine Blue OCR
Synonym
Alizarine Blue OCRA
Synonym
Alizarine Blue OCRB
Synonym
Alizarine Blue OCRN
Synonym
Alizarine Blue OS
Synonym
Alizarine Chrome Black 6B
Synonym
Anthranol Chrome Blue Black RBA
Synonym
Anthranol Chrome Blue Black RZF
Synonym
Atlantichrome Blue Black RZN
Synonym
Azochromol Blue Black R
Synonym
Calcochrome Blue Black R
Synonym
Chromazine Blue Black R
Synonym
Chrome Acid Blue
Synonym
Chrome Black 6B
Synonym
Chrome Blue Black R
Synonym
Chrome Blue Black 2B
Synonym
Chrome Blue Black BSS
Synonym
Chrome Blue Black RC
Synonym
Chrome Blue Black RF
Synonym
Chrome Blue Black RW
Synonym
Chrome Fast Blue M
Synonym
Chrome Fast Cyanine 2BSS
Synonym
Chrome Fast Cyanine BN
Synonym
Chrome Fast Cyanine BNZ
Synonym
Chrome Fast Cyanine BSS
Synonym
Chrome Fast Cyanine GR
Synonym
Chromocard Blue Black R
Synonym
Cromal Blue Black R
Synonym
Diacromo Blue B
Synonym
Diamond Blue Black RBA High Conc. CF
Synonym
Diamond Blue Black RW
Synonym
Diamond Blue Black RZF Super Special
Synonym
Diamond Fast Blue E
Synonym
Durochrome Blue OCRA Ex
Synonym
Durochrome Blue OCRN
Synonym
Eriochrome Blue Black 2RCS
Synonym
Eriochrome Blue Black MR
Synonym
Eriochrome Blue Black RC
Synonym
Eriochrome Blue Black RCS
Synonym
Eriochrome Blue Black RSS
Synonym
Eriochrome Blue Black RS Soluble
Synonym
Eriochrome Blue Black RS Supra
Synonym
Eriochrome Blue Black RZ
Synonym
Fast Chrome Cyanine 2B
Synonym
Fast Chrome Cyanine 2BS
Synonym
Fast Chrome Cyanine 3B
Synonym
Fast Chrome Cyanine 2B New
Synonym
Fenakrom Blue Black R
Synonym
Fenakrom Blue Black RZF
Synonym
Hispacrom Blue B
Synonym
Java Chrome Blue Black RN
Synonym
Kayaku Chrome Blue Black R
Synonym
Kenachrome Dark Blue B
Synonym
Lighthouse Chrome Dark Blue B
Synonym
Magracrom Blue
Synonym
Mitsui Chrome Blue Black RC
Synonym
Mordant Black 17
Synonym
Omega Chrome Blue Black R
Synonym
Omega Chrome Blue Black RSS
Synonym
Omega Chrome Blue Black RZN
Synonym
Pontachrome Black B
Synonym
Pontachrome Blue Black RM
Synonym
Pontachrome Blue Black ZF
Synonym
Salicine Chrome Blue Black RW
Synonym
Solochrome Dark Blue B
Synonym
Solochrome Dark Blue BN
Synonym
Sunchromine Blue Black R
Synonym
Superchrome Blue B
Synonym
Superchrome Blue BCM
Synonym
Superchrome Blue Black Extra
Synonym
Superchrome Blue BS
Synonym
Superchrome Blue BZ
Synonym
Superchrome Blue RBN
Synonym
Superchrome Blue ZF
Synonym
Superchrome Blue ZFAM
Synonym
Symulon Chrome Blue Black RC
Synonym
Telon Chrome Navy Blue R
Synonym
Tertrochrome Blue R
Synonym
Tertrochrome Blue Black RW
Synonym
Yodochrome Blue Black FZ
Synonym
Calcon
Synonym
Pontachrome Blue Black R
Synonym
Solochrome Dark Blue
Synonym
Palatine Chrome Black 6BN
Synonym
Acid Chrome Blue Black
Synonym
Chrome Blue Black
Synonym
Eriochrome Blue Black RS
Synonym
Orbokrom Blue ER
Synonym
Sunchromine Black RN
Synonym
PCB 6BN
Synonym
Eriochrome Blue Black
Synonym
Identifiers:
SMILES:
O=S(=O)(O)c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12.[Na]
InChI:
InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);
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 | 417.40 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC(O)=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=4C=CC=CC41 None | Legacy Database |
| cas-inchi | InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27); None | Legacy Database |
| cas-inchi-key | InChIKey=DUAOEJHKAFVBAC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | C.I. Mordant Black 17 None | Legacy Database |
| LogP | 4.685500000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 417.3980000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 417.052111828 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 29 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 119.55000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 110.97020000000003 | RDKit |