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Mordant Black Pv
CAS: 2052-25-7 | C16H12N2NaO6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2052-25-7
- Molecular Formula
- C16H12N2NaO6S
- Molecular Mass
- 383.34 g/mol
Identifiers
CAS Registry Number
2052-25-7
SMILES
O=S(=O)(O)c1ccc(O)c(N=Nc2ccc3c(O)cccc3c2O)c1.[Na]
InChI Key
BMAKIBJSNRCSPN-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N2O6S.Na/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20;/h1-8,19-21H,(H,22,23,24);
Names and Synonyms
- Mordant Black Pv Synonym
- Benzenesulfonic acid, 3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-, sodium salt (1:1) Synonym
- C.I. Mordant Black 9, monosodium salt Synonym
- Chrome Fast Black PV Synonym
- C.I. Mordant Black 9 Synonym
- Benzenesulfonic acid, 3-[(1,5-dihydroxy-2-naphthalenyl)azo]-4-hydroxy-, monosodium salt Synonym
- C.I. 16500 Synonym
- Alizarine Chrome Black PV Synonym
- Anthracene Chrome Black PCV Synonym
- Azochromol Black PV Synonym
- Calcochrome Black PV Synonym
- Chromazine Black P2B Synonym
- Chromazine Black PV Synonym
- Chrome Black PV Synonym
- Chromocard Black PV Synonym
- Diacromo Black PV 2A Synonym
- Diadem Chrome Black PV new Synonym
- Diamond Black K Synonym
- Diamond Black PC Synonym
- Diamond Black PVB Synonym
- Diamond Black PVF Synonym
- Diamond Red RV Synonym
- Durochrome Black PV Synonym
- Eriochrome Black PV Synonym
- Hispacrom Black PV Synonym
- Java Chrome Black PV Synonym
- Mordant Black 9 Synonym
- Omega Chrome Black PV Synonym
- Omega Chrome Black VS Synonym
- Pontachrome Black PV Synonym
- Potting Black PV Synonym
- Potting Chrome Black PV Synonym
- Salicine Chrome Black PV Synonym
- Solochrome Black PV Synonym
- Superchrome Black PV Synonym
- Tertrochrome Black PV Synonym
- Diamond Black PV Synonym
- Chrome Black PLW Synonym
- Yamada Chrome Black PLW Synonym
- Acid Mordant Black PV Synonym
- Diamond Black PV 200 Synonym
- Mordant Black PV Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.34 g/mol | CAS Common Chemistry |
| 383.33700000000005 g/mol | RDKit | |
| 383.337 g/mol | RDKit | |
| 384.338 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=S(=O)(O)C1=CC=C(O)C(N=NC=2C=CC=3C(O)=CC=CC3C2O)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C16H12N2O6S.Na/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20;/h1-8,19-21H,(H,22,23,24); | CAS Common Chemistry |
| InChI Key | InChIKey=BMAKIBJSNRCSPN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Mordant Black PV | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 139.78 Ų | RDKit |
| LogP | 3.2379000000000007 | RDKit |
| 3.2379 | RDKit | |
| Molar Refractivity | 95.12900000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 383.031376384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
