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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
Names and Synonyms:
Indigo Carmine
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)
[Δ2,2′-Biindoline]-5,5′-disulfonic acid, 3,3′-dioxo-, disodium salt
C.I. Acid Blue 74
1H-Indole-5-sulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-, disodium salt
1311 Blue
12070 Blue
C.I. 73015
C.I. 75781
Acid Blue W
Ariavit Indigo Carmine
Food Blue No. 2
Acid Leather Blue IC
Airedale Blue IN
Amacid Brilliant Blue
Aniline Carmine Powder
Atul Indigo Carmine
FD & C Blue 2
A.F. Blue No. 2
Bucacid Indigotine B
Canacert Indigo Carmine
Carmine Blue
Cilefa Blue R
C.I. Food Blue 1
C.I. Natural Blue 2
Dolkwal Indigo Carmine
Edicol Supra Blue X
Food Blue 1
Grape Blue A
HD Indigo Carmine
HD Indigo Carmine Supra
Hexacert Blue No. 2
Hexacol Indigo Carmine Supra
Indigo carmine
Indigo Carmine A
Indigo Carmine AC
Indigo Carmine BP
Indigo Carmine Conc. FQ
Indigo Carmine Powder
Indigo Extract
Indigo Carmine X
Indigotine B
Indigotine I
Indigotine N
Indigotine Blue LZ
Indigotine disodium salt
Indigotine Extra Pure A
Indigotine Lake
Indocarmine F
Intense Blue
Maple Indigo Carmine
Mitsui Indigo Carmine
San-ei Indigo Carmine
Sodium 5,5′-indigotindisulfonate
Soluble indigo
Sumitomo Wool Blue SBC
Usacert Blue No. 2
FD and C Blue No. 2
Indigotine IA
Sodium 5,5′-indigodisulfonate
Disodium 5,5′-indigodisulfonate
L Blue Z 5010
Disodium 5,5′-indigotin disulfonate
Soluble indigo blue
Acid Blue 74
Food Blue No. 1
FD&C Blue No. 2
Indigotine Carmine
Indigotine
E 132
Indigotin (solubilized)
Indigotin
5,5′-Indigodisulfonic acid disodium salt
Japan Blue 2
FD and C Blue 2
Usacert FD and C Blue No. 2
Food Blue 2
Indigo carmine NB
WAS 35
Sepisperse Dry 1003
Indigo Carmine 37006
Indigo Carmine 307019
Water Blue 177558
Water Blue 177557
FD & C Blue No 2-307045
Usacert FD & C Blue No 2-310118
Necol Indigo Carmine
Indigo Carmine 36009
Neelicol Indigo Carmine
Eurocert Indigo Carmine 311811
FD&C Blue No. 2-37006
Basovit Blue 665E
Cogilor Blue 511.11
Blue 2
Japan Food Blue No. 2
Carmine indigo
Indigo carmine 85E132
Blue No. 2
Indigo carmine E 132
Disodium 2,2′-biindolylidene-3,3′-dione-5,5′-disulfonate
Sepisperse Dry Blue
Identifiers:
SMILES:
O=C1C(=C2Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21.[Na].[Na]
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);;
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.38 g/mol | CAS Common Chemistry |
| 468.3760000000001 g/mol | RDKit | |
| 467.96739584 g/mol | RDKit | |
| 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 |
| LogP | 0.5466 | RDKit |
| Molar Refractivity | 106.95360000000004 | RDKit |
