Back to Search
Molecule
Indigo Blue
CAS: 482-89-3 · C16H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 482-89-3
- Molecular Formula
- C16H10N2O2
- Molecular Mass
- 262.27 g/mol
Identifiers
CAS Registry Number
482-89-3
SMILES
O=C1C(=C2Nc3ccccc3C2=O)Nc2ccccc21
InChI Key
COHYTHOBJLSHDF-UHFFFAOYSA-N
InChI
InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H
Names and Synonyms
- Indigo Blue Synonym
- 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- Synonym
- [Δ2,2′-Biindoline]-3,3′-dione Synonym
- Indigo Pure BASF Synonym
- 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one Synonym
- 11669 Blue Synonym
- C.I. 73000 Synonym
- [Δ2,2′(3H,3′H)-Biindole]-3,3′-dione Synonym
- Δ2,2′-Bipseudoindoxyl Synonym
- D+C Blue No. 6 Synonym
- C.I. Vat Blue 1 Synonym
- Diindogen Synonym
- Indigo J Synonym
- Indigo N Synonym
- Indigo P Synonym
- Indigo Ciba Synonym
- Indigo Ciba SL Synonym
- Indigo NAC Synonym
- Indigo NACCO Synonym
- Indigo PLN Synonym
- Indigo Powder W Synonym
- Indigo Pure BASF Powder K Synonym
- Indigo Synthetic Synonym
- Indigotin Synonym
- Indigo VS Synonym
- Lithosol Deep Blue B Synonym
- Mitsui Indigo Paste Synonym
- Mitsui Indigo Pure Synonym
- Monolite Fast Navy Blue BV Synonym
- Synthetic indigo Synonym
- Synthetic Indigo TS Synonym
- Vulcafix Blue R Synonym
- Vulcafor Blue A Synonym
- Vulcanosine Dark Blue L Synonym
- Vulcol Fast Blue GL Synonym
- Vynamon Blue A Synonym
- Vat Blue 1 Synonym
- Indigo Synonym
- Blue No. 201 Synonym
- Cystoceva Synonym
- Indigo Blue Synonym
- D and C Blue No. 6 Synonym
- Indigotin (natural) Synonym
- Indigotine Synonym
- C.I. Pigment Blue 66 Synonym
- Pigment Indigo Synonym
- Pigment Indigo V Synonym
- Pigment Blue 66 Synonym
- C Blue 22 Synonym
- Natural blue indigotin Synonym
- C.I. Natural Blue 1 Synonym
- Natural Blue 1 Synonym
- Mitsui Indigo Pure EXN Synonym
- Japan Blue 201 Synonym
- Vat Dark Blue VB Synonym
- D&C Blue No. 6 Synonym
- Reduced Dark Blue VB Synonym
- Dystar Indigo Gr Synonym
- 2,2′-Bis(2,3-dihydro-3-oxoindolylidene) Synonym
- Bezema Indigo AXX-FL Synonym
- AXX-FL Synonym
- 2,2′-Biindolylidene-3,3′-dione Synonym
- 2-(3-Oxo-1H-indol-2-ylidene)-1H-indol-3-one Synonym
- AT 01 Synonym
- Dystar Indigo Gran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.27 g/mol | CAS Common Chemistry |
| 262.26800000000003 g/mol | RDKit | |
| 262.268 g/mol | RDKit | |
| Density | 1.35 g/cm³ | CAS Common Chemistry |
| 1.35 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1C=2C=CC=CC2NC1=C3NC=4C=CC=CC4C3=O | CAS Common Chemistry |
| InChI | InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H | CAS Common Chemistry |
| InChI Key | InChIKey=COHYTHOBJLSHDF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 390 °C (decomp) | CAS Common Chemistry |
| Name | Indigo Blue | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.2 Ų | RDKit |
| LogP | 2.8148 | RDKit |
| Molar Refractivity | 75.81640000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 262.07422756 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 |
|---|
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.
External Resources
Convert
Quick conversion
MW = 262.27 g/mol; density = 1.350 g/mL. Edit any field — others recompute live.
