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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
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
C.I. Mordant Black 17, monosodium salt
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt
C.I. Mordant Black 17
Eriochrome Blue Black R
C.I. 15705
Acid Chrome Blue
Acid Chrome Dark Blue ERN
Alizarine Blue Black R
Alizarine Blue OCR
Alizarine Blue OCRA
Alizarine Blue OCRB
Alizarine Blue OCRN
Alizarine Blue OS
Alizarine Chrome Black 6B
Anthranol Chrome Blue Black RBA
Anthranol Chrome Blue Black RZF
Atlantichrome Blue Black RZN
Azochromol Blue Black R
Calcochrome Blue Black R
Chromazine Blue Black R
Chrome Acid Blue
Chrome Black 6B
Chrome Blue Black R
Chrome Blue Black 2B
Chrome Blue Black BSS
Chrome Blue Black RC
Chrome Blue Black RF
Chrome Blue Black RW
Chrome Fast Blue M
Chrome Fast Cyanine 2BSS
Chrome Fast Cyanine BN
Chrome Fast Cyanine BNZ
Chrome Fast Cyanine BSS
Chrome Fast Cyanine GR
Chromocard Blue Black R
Cromal Blue Black R
Diacromo Blue B
Diamond Blue Black RBA High Conc. CF
Diamond Blue Black RW
Diamond Blue Black RZF Super Special
Diamond Fast Blue E
Durochrome Blue OCRA Ex
Durochrome Blue OCRN
Eriochrome Blue Black 2RCS
Eriochrome Blue Black MR
Eriochrome Blue Black RC
Eriochrome Blue Black RCS
Eriochrome Blue Black RSS
Eriochrome Blue Black RS Soluble
Eriochrome Blue Black RS Supra
Eriochrome Blue Black RZ
Fast Chrome Cyanine 2B
Fast Chrome Cyanine 2BS
Fast Chrome Cyanine 3B
Fast Chrome Cyanine 2B New
Fenakrom Blue Black R
Fenakrom Blue Black RZF
Hispacrom Blue B
Java Chrome Blue Black RN
Kayaku Chrome Blue Black R
Kenachrome Dark Blue B
Lighthouse Chrome Dark Blue B
Magracrom Blue
Mitsui Chrome Blue Black RC
Mordant Black 17
Omega Chrome Blue Black R
Omega Chrome Blue Black RSS
Omega Chrome Blue Black RZN
Pontachrome Black B
Pontachrome Blue Black RM
Pontachrome Blue Black ZF
Salicine Chrome Blue Black RW
Solochrome Dark Blue B
Solochrome Dark Blue BN
Sunchromine Blue Black R
Superchrome Blue B
Superchrome Blue BCM
Superchrome Blue Black Extra
Superchrome Blue BS
Superchrome Blue BZ
Superchrome Blue RBN
Superchrome Blue ZF
Superchrome Blue ZFAM
Symulon Chrome Blue Black RC
Telon Chrome Navy Blue R
Tertrochrome Blue R
Tertrochrome Blue Black RW
Yodochrome Blue Black FZ
Calcon
Pontachrome Blue Black R
Solochrome Dark Blue
Palatine Chrome Black 6BN
Acid Chrome Blue Black
Chrome Blue Black
Eriochrome Blue Black RS
Orbokrom Blue ER
Sunchromine Black RN
PCB 6BN
Eriochrome Blue Black
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 |
