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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 Weight:
383.33700000000005 g/mol
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
Identifiers:
SMILES:
O=S(=O)(O)c1ccc(O)c(N=Nc2ccc3c(O)cccc3c2O)c1.[Na]
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);
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 | 383.34 g/mol | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC=C(O)C(N=NC=2C=CC=3C(O)=CC=CC3C2O)=C1 None | Legacy Database |
| cas-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); None | Legacy Database |
| cas-inchi-key | InChIKey=BMAKIBJSNRCSPN-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Mordant Black PV None | Legacy Database |
| LogP | 3.2379000000000007 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 383.33700000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 383.031376384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 7 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 139.78 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 95.12900000000002 | RDKit |