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Eriochrome Black T
CAS: 1787-61-7 | C20H13N3NaO7S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1787-61-7
Molecular Formula:
C20H13N3NaO7S
Molecular Weight:
462.39500000000015 g/mol
Names and Synonyms:
Eriochrome Black T
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-, sodium salt (1:1)
1-(1-Hydroxy-2-naphthylazo)-6-nitro-2-naphthol-4-sulfonic acid, sodium salt
Solochrome Black
Acid Chrome Black Special
Solochrome Black T
Chrome Black Special
Chromogene Black ETOO Special
Chromogene Black T 160
Eriochrome Black T
Solochrome Black A
Orbokrom Black TS
Alizarine Chrome Black PT Supra Special
Chrome Black ET
Eriochrome Black TFD
Acid Chrome Black ETN
EBT
Acid Mordant Black T
Acid Chrome Black TDS
Chromogen Black ET 100
Mordant Black 2B
Acid Chrome Black T
Eriochrome Black TFD-S
C.I. Mordant Black 11, monosodium salt
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-7-nitro-, monosodium salt
Chromogene Black ET
C.I. 14645
Acid Chrome Black A
Acid Chrome Black ET
Acid Chrome Black ET extra
Alizarine Chrome Black PT
Alizarine Chrome Black PT Supra
Anthranol Chrome Black T
Azochromol Black T
Calcochrome Black T
Chromazine Black T
Chrome Black T
Chrome Black ETOO
Chrome Black PB
Chrome Black TK
Chrome Black TX
Chrome Deep Black T
Chrome Fast Black T
Chrome Fast Black CAT
Chrome Fast Black KIT
Chrome Fast Black TS
Chromocard Black T
Chromogen Black ET-OO
Chromogen Black ETR
Chromogene Black T
Chromogene Black ET extra
Chromogene Black ETO-CF
Chromogene Black ETOO Supra CF
C.I. Mordant Black 11
Cromal Deep Black NS
Diacromo Black PA
Diacromo Black PSS
Diadem Chrome Black T
Diadem Chrome Black DFA
Diadem Chrome Black TDS
Diadem Chrome Black TW
Diamantine Black T
Diamond Black PT
Durochrome Black T
Durochrome Black ETOO
Durochrome Black TS
Durochrome Black WDFA
Eniacromo Black PA
Eriochrome Black DW
Eriochrome Black TDW
Erio Chrome Black TN
Eriochrome Black TND
Eriochrome Black TSS
Fast Chrome Black T
Fenakrom Black ET
Hispacrom Black T
Java Chrome Black T
Kenachrome Black T
Lighthouse Chrome Black T
Magracrom Black A
Mitsui Chrome Black PB
Mordant Black 11
Omega Chrome Black S
Omega Chrome Black T
Omega Chrome Black TDW
Pontachrome Black TA
Potting Black C
Potting Chrome Black CL
Salicina Black C Extra
Salicine Chrome Black HC
Schultz No. 241
Solochromate Black WDFA
Solochrome Black WDFA
Sunchromine Black BT
Sunchromine Black CF
Sunchromine Black ET
Sunchromine Black HC
Superchrome Black T
Superchrome Black TS
Telon Chrome Black C
Telon Chrome Black CR
Tertrochrome Black S
Tertrochrome Black TS
Yodochrome Black ETX
Identifiers:
SMILES:
O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1.[Na]
InChI:
InChI=1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30);
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 | 462.39500000000015 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 462.0371900359999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 162.69 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.5937000000000054 | RDKit |
| molecular_mass | 462.40 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Eriochrome_Black_T None | Legacy Database |
| cas-canonical-smile | [Na].O=N(=O)C1=CC=C2C(N=NC=3C=CC=4C=CC=CC4C3O)=C(O)C=C(C2=C1)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30); None | Legacy Database |
| cas-inchi-key | InChIKey=YUJFCGQWGATJPG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Eriochrome Black T None | Legacy Database |
| wikipedia-name | Eriochrome Black T None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 117.62460000000004 | RDKit |
