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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
Synonym
1-Naphthalenesulfonic acid, 3-hydroxy-4-[2-(1-hydroxy-2-naphthalenyl)diazenyl]-7-nitro-, sodium salt (1:1)
Synonym
1-(1-Hydroxy-2-naphthylazo)-6-nitro-2-naphthol-4-sulfonic acid, sodium salt
Synonym
Solochrome Black
Synonym
Acid Chrome Black Special
Synonym
Solochrome Black T
Synonym
Chrome Black Special
Synonym
Chromogene Black ETOO Special
Synonym
Chromogene Black T 160
Synonym
Eriochrome Black T
Synonym
Solochrome Black A
Synonym
Orbokrom Black TS
Synonym
Alizarine Chrome Black PT Supra Special
Synonym
Chrome Black ET
Synonym
Eriochrome Black TFD
Synonym
Acid Chrome Black ETN
Synonym
EBT
Synonym
Acid Mordant Black T
Synonym
Acid Chrome Black TDS
Synonym
Chromogen Black ET 100
Synonym
Mordant Black 2B
Synonym
Acid Chrome Black T
Synonym
Eriochrome Black TFD-S
Synonym
C.I. Mordant Black 11, monosodium salt
Synonym
1-Naphthalenesulfonic acid, 3-hydroxy-4-[(1-hydroxy-2-naphthalenyl)azo]-7-nitro-, monosodium salt
Synonym
Chromogene Black ET
Synonym
C.I. 14645
Synonym
Acid Chrome Black A
Synonym
Acid Chrome Black ET
Synonym
Acid Chrome Black ET extra
Synonym
Alizarine Chrome Black PT
Synonym
Alizarine Chrome Black PT Supra
Synonym
Anthranol Chrome Black T
Synonym
Azochromol Black T
Synonym
Calcochrome Black T
Synonym
Chromazine Black T
Synonym
Chrome Black T
Synonym
Chrome Black ETOO
Synonym
Chrome Black PB
Synonym
Chrome Black TK
Synonym
Chrome Black TX
Synonym
Chrome Deep Black T
Synonym
Chrome Fast Black T
Synonym
Chrome Fast Black CAT
Synonym
Chrome Fast Black KIT
Synonym
Chrome Fast Black TS
Synonym
Chromocard Black T
Synonym
Chromogen Black ET-OO
Synonym
Chromogen Black ETR
Synonym
Chromogene Black T
Synonym
Chromogene Black ET extra
Synonym
Chromogene Black ETO-CF
Synonym
Chromogene Black ETOO Supra CF
Synonym
C.I. Mordant Black 11
Synonym
Cromal Deep Black NS
Synonym
Diacromo Black PA
Synonym
Diacromo Black PSS
Synonym
Diadem Chrome Black T
Synonym
Diadem Chrome Black DFA
Synonym
Diadem Chrome Black TDS
Synonym
Diadem Chrome Black TW
Synonym
Diamantine Black T
Synonym
Diamond Black PT
Synonym
Durochrome Black T
Synonym
Durochrome Black ETOO
Synonym
Durochrome Black TS
Synonym
Durochrome Black WDFA
Synonym
Eniacromo Black PA
Synonym
Eriochrome Black DW
Synonym
Eriochrome Black TDW
Synonym
Erio Chrome Black TN
Synonym
Eriochrome Black TND
Synonym
Eriochrome Black TSS
Synonym
Fast Chrome Black T
Synonym
Fenakrom Black ET
Synonym
Hispacrom Black T
Synonym
Java Chrome Black T
Synonym
Kenachrome Black T
Synonym
Lighthouse Chrome Black T
Synonym
Magracrom Black A
Synonym
Mitsui Chrome Black PB
Synonym
Mordant Black 11
Synonym
Omega Chrome Black S
Synonym
Omega Chrome Black T
Synonym
Omega Chrome Black TDW
Synonym
Pontachrome Black TA
Synonym
Potting Black C
Synonym
Potting Chrome Black CL
Synonym
Salicina Black C Extra
Synonym
Salicine Chrome Black HC
Synonym
Schultz No. 241
Synonym
Solochromate Black WDFA
Synonym
Solochrome Black WDFA
Synonym
Sunchromine Black BT
Synonym
Sunchromine Black CF
Synonym
Sunchromine Black ET
Synonym
Sunchromine Black HC
Synonym
Superchrome Black T
Synonym
Superchrome Black TS
Synonym
Telon Chrome Black C
Synonym
Telon Chrome Black CR
Synonym
Tertrochrome Black S
Synonym
Tertrochrome Black TS
Synonym
Yodochrome Black ETX
Synonym
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 |