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Molecule

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 Mass
462.40 g/mol

Identifiers

CAS Registry Number

1787-61-7

SMILES

O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1.[Na]

InChI Key

YUJFCGQWGATJPG-UHFFFAOYSA-N

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);

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

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 462.40 g/mol CAS Common Chemistry
462.39500000000015 g/mol RDKit
462.395 g/mol RDKit
463.396 g/mol chempirical lib
Wikipedia Url https://en.wikipedia.org/wiki/Eriochrome_Black_T CAS Common Chemistry
Canonical SMILES [Na].O=N(=O)C1=CC=C2C(N=NC=3C=CC=4C=CC=CC4C3O)=C(O)C=C(C2=C1)S(=O)(=O)O CAS Common Chemistry
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); CAS Common Chemistry
InChI Key InChIKey=YUJFCGQWGATJPG-UHFFFAOYSA-N CAS Common Chemistry
Name Eriochrome Black T CAS Common Chemistry
Heavy Atom Count 32 RDKit
Hydrogen Bond Acceptors 8 RDKit
Hydrogen Bond Donors 3 RDKit
Rotatable Bonds 4 RDKit
Aromatic Ring Count 4 RDKit
Topological Polar Surface Area 162.69 Ų RDKit
LogP 4.5937000000000054 RDKit
4.5937 RDKit
Molar Refractivity 117.62460000000004 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0 RDKit
Exact Mass 462.0371900359999 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

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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MW = 462.40 g/mol. Edit any field — others recompute live.

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