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Molecule
Indigo Carmine
CAS: 860-22-0 · C16H10N2Na2O8S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 860-22-0
- Molecular Formula
- C16H10N2Na2O8S2
- Molecular Mass
- 468.38 g/mol
Identifiers
CAS Registry Number
860-22-0
SMILES
O=C1C(=C2Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21.[Na].[Na]
InChI Key
BBHXOPLQIHJZNV-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;
Names and Synonyms
- Indigo Carmine Common Name
- 1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, sodium salt (1:2) Synonym
- [Δ2,2′-Biindoline]-5,5′-disulfonic acid, 3,3′-dioxo-, disodium salt Synonym
- C.I. Acid Blue 74 Synonym
- 1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt Synonym
- 1311 Blue Synonym
- 12070 Blue Synonym
- C.I. 73015 Synonym
- C.I. 75781 Synonym
- Acid Blue W Synonym
- Ariavit Indigo Carmine Synonym
- Food Blue No. 2 Synonym
- Acid Leather Blue IC Synonym
- Airedale Blue IN Synonym
- Amacid Brilliant Blue Synonym
- Aniline Carmine Powder Synonym
- Atul Indigo Carmine Synonym
- FD & C Blue 2 Synonym
- A.F. Blue No. 2 Synonym
- Bucacid Indigotine B Synonym
- Canacert Indigo Carmine Synonym
- Carmine Blue Synonym
- Cilefa Blue R Synonym
- C.I. Food Blue 1 Synonym
- C.I. Natural Blue 2 Synonym
- Dolkwal Indigo Carmine Synonym
- Edicol Supra Blue X Synonym
- Food Blue 1 Synonym
- Grape Blue A Synonym
- HD Indigo Carmine Synonym
- HD Indigo Carmine Supra Synonym
- Hexacert Blue No. 2 Synonym
- Hexacol Indigo Carmine Supra Synonym
- Indigo carmine Synonym
- Indigo Carmine A Synonym
- Indigo Carmine AC Synonym
- Indigo Carmine BP Synonym
- Indigo Carmine Conc. FQ Synonym
- Indigo Carmine Powder Synonym
- Indigo Extract Synonym
- Indigo Carmine X Synonym
- Indigotine B Synonym
- Indigotine I Synonym
- Indigotine N Synonym
- Indigotine Blue LZ Synonym
- Indigotine disodium salt Synonym
- Indigotine Extra Pure A Synonym
- Indigotine Lake Synonym
- Indocarmine F Synonym
- Intense Blue Synonym
- Maple Indigo Carmine Synonym
- Mitsui Indigo Carmine Synonym
- San-ei Indigo Carmine Synonym
- Sodium 5,5′-indigotindisulfonate Synonym
- Soluble indigo Synonym
- Sumitomo Wool Blue SBC Synonym
- Usacert Blue No. 2 Synonym
- FD and C Blue No. 2 Synonym
- Indigotine IA Synonym
- Sodium 5,5′-indigodisulfonate Synonym
- Disodium 5,5′-indigodisulfonate Synonym
- L Blue Z 5010 Synonym
- Disodium 5,5′-indigotin disulfonate Synonym
- Soluble indigo blue Synonym
- Acid Blue 74 Synonym
- Food Blue No. 1 Synonym
- FD&C Blue No. 2 Synonym
- Indigotine Carmine Synonym
- Indigotine Synonym
- E 132 Synonym
- Indigotin (solubilized) Synonym
- Indigotin Synonym
- 5,5′-Indigodisulfonic acid disodium salt Synonym
- Japan Blue 2 Synonym
- FD and C Blue 2 Synonym
- Usacert FD and C Blue No. 2 Synonym
- Food Blue 2 Synonym
- Indigo carmine NB Synonym
- WAS 35 Synonym
- Sepisperse Dry 1003 Synonym
- Indigo Carmine 37006 Synonym
- Indigo Carmine 307019 Synonym
- Water Blue 177558 Synonym
- Water Blue 177557 Synonym
- FD & C Blue No 2-307045 Synonym
- Usacert FD & C Blue No 2-310118 Synonym
- Necol Indigo Carmine Synonym
- Indigo Carmine 36009 Synonym
- Neelicol Indigo Carmine Synonym
- Eurocert Indigo Carmine 311811 Synonym
- FD&C Blue No. 2-37006 Synonym
- Basovit Blue 665E Synonym
- Cogilor Blue 511.11 Synonym
- Blue 2 Synonym
- Japan Food Blue No. 2 Synonym
- Carmine indigo Synonym
- Indigo carmine 85E132 Synonym
- Blue No. 2 Synonym
- Indigo carmine E 132 Synonym
- Disodium 2,2′-biindolylidene-3,3′-dione-5,5′-disulfonate Synonym
- Sepisperse Dry Blue Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.38 g/mol | CAS Common Chemistry |
| 468.3760000000001 g/mol | RDKit | |
| 468.376 g/mol | RDKit | |
| 470.378 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Indigo_carmine | CAS Common Chemistry |
| Canonical SMILES | [Na].O=C1C2=CC(=CC=C2NC1=C3NC4=CC=C(C=C4C3=O)S(=O)(=O)O)S(=O)(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);; | CAS Common Chemistry |
| InChI Key | InChIKey=BBHXOPLQIHJZNV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Indigo carmine | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 166.93999999999997 Ų | RDKit |
| 166.94 Ų | RDKit | |
| LogP | 0.5466 | RDKit |
| Molar Refractivity | 106.95360000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 467.96739584 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 468.38 g/mol. Edit any field — others recompute live.
