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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
Benzenesulfonic acid, 3-[2-(1,5-dihydroxy-2-naphthalenyl)diazenyl]-4-hydroxy-, sodium salt (1:1)
C.I. Mordant Black 9, monosodium salt
Chrome Fast Black PV
C.I. Mordant Black 9
Benzenesulfonic acid, 3-[(1,5-dihydroxy-2-naphthalenyl)azo]-4-hydroxy-, monosodium salt
C.I. 16500
Alizarine Chrome Black PV
Anthracene Chrome Black PCV
Azochromol Black PV
Calcochrome Black PV
Chromazine Black P2B
Chromazine Black PV
Chrome Black PV
Chromocard Black PV
Diacromo Black PV 2A
Diadem Chrome Black PV new
Diamond Black K
Diamond Black PC
Diamond Black PVB
Diamond Black PVF
Diamond Red RV
Durochrome Black PV
Eriochrome Black PV
Hispacrom Black PV
Java Chrome Black PV
Mordant Black 9
Omega Chrome Black PV
Omega Chrome Black VS
Pontachrome Black PV
Potting Black PV
Potting Chrome Black PV
Salicine Chrome Black PV
Solochrome Black PV
Superchrome Black PV
Tertrochrome Black PV
Diamond Black PV
Chrome Black PLW
Yamada Chrome Black PLW
Acid Mordant Black PV
Diamond Black PV 200
Mordant Black PV
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
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.2379000000000007 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 95.12900000000002 | RDKit |
