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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 Mass
- 417.40 g/mol
Identifiers
CAS Registry Number
2538-85-4
SMILES
O=S(=O)(O)c1cc(O)c(N=Nc2c(O)ccc3ccccc23)c2ccccc12.[Na]
InChI Key
DUAOEJHKAFVBAC-UHFFFAOYSA-N
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);
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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 417.40 g/mol | CAS Common Chemistry |
| 417.3980000000001 g/mol | RDKit | |
| 417.398 g/mol | RDKit | |
| 418.399 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC(O)=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=4C=CC=CC41 | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=DUAOEJHKAFVBAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | C.I. Mordant Black 17 | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 119.55000000000001 Ų | RDKit |
| 119.55 Ų | RDKit | |
| LogP | 4.685500000000003 | RDKit |
| 4.6855 | RDKit | |
| Molar Refractivity | 110.97020000000003 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 417.052111828 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
