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Molecule
Indanthrone Blue
CAS: 81-77-6 · C28H14N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 81-77-6
- Molecular Formula
- C28H14N2O4
- Molecular Mass
- 442.43 g/mol
Identifiers
CAS Registry Number
81-77-6
SMILES
O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12
InChI Key
UHOKSCJSTAHBSO-UHFFFAOYSA-N
InChI
InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H
Names and Synonyms
- Indanthrone Blue Synonym
- Indanthrone Synonym
- 5,9,14,18-Anthrazinetetrone, 6,15-dihydro- Synonym
- Indanthrene Synonym
- 6,15-Dihydro-5,9,14,18-anthrazinetetrone Synonym
- C.I. 69800 Synonym
- Atic Vat Blue XRN Synonym
- Benzadone Blue RS Synonym
- Blue O Synonym
- Blue anthraquinone pigment Synonym
- Calcoloid Blue RS Synonym
- Caledon Blue RN Synonym
- Caledon Blue XRN Synonym
- Caledon Brilliant Blue RN Synonym
- Caledon Paper Blue RN Synonym
- Caledon Printing Blue RN Synonym
- Caledon Printing Blue XRN Synonym
- Carbanthrene Blue 2R Synonym
- Carbanthrene Blue RS Synonym
- Carbanthrene Blue RSP Synonym
- Celliton Blue RN Synonym
- Cibanone Blue FRS Synonym
- Cibanone Blue FRSN Synonym
- Cibanone Brilliant Blue FR Synonym
- C.I. Pigment Blue 60 Synonym
- C.I. Vat Blue 4 Synonym
- N,N′-Dihydro-1,2,1′,2′-anthraquinonazine Synonym
- Fenan Blue RSN Synonym
- Fenanthren Blue RS Synonym
- Graphtol Blue RL Synonym
- Helianthrene Blue RS Synonym
- Indanthren Blue GP Synonym
- Indanthren Blue GPT Synonym
- Indanthren Blue RPT Synonym
- Indanthren Blue RS Synonym
- Indanthren Blue RSN Synonym
- Indanthren Blue RSP Synonym
- Indanthren Brilliant Blue R Synonym
- Indanthrene Blue GP Synonym
- Indanthrene Blue RP Synonym
- Indanthrene Blue RS Synonym
- Indanthrene Blue RSN Synonym
- Indanthren Printing Blue FRS Synonym
- Indanthren Printing Blue KRS Synonym
- Lake Fast Blue BS Synonym
- Lake Fast Blue GGS Synonym
- Latexol Fast Blue SD Synonym
- Lutetia Fast Blue RS Synonym
- Medium Blue Synonym
- Mikethrene Blue RSN Synonym
- Mikethrene Brilliant Blue R Synonym
- Monolite Fast Blue 3R Synonym
- Monolite Fast Blue 3RD Synonym
- Monolite Fast Blue RV Synonym
- Navinon Blue RSN Synonym
- Navinon Blue RSN Reddish Special Synonym
- Nihonthrene Blue RSN Synonym
- Nihonthrene Brilliant Blue RP Synonym
- Ostanthren Blue RS Synonym
- Ostanthren Blue RSN Synonym
- Ostanthren Blue RSZ Synonym
- Ostanthrene Blue RS Synonym
- Palanthrene Blue GPT Synonym
- Palanthrene Blue GPZ Synonym
- Palanthrene Blue RPT Synonym
- Palanthrene Blue RPZ Synonym
- Palanthrene Blue RSN Synonym
- Palanthrene Brilliant Blue R Synonym
- Palanthrene Printing Blue KRS Synonym
- Paradone Blue RS Synonym
- Paradone Brilliant Blue R Synonym
- Paradone Printing Blue FRS Synonym
- Pernithrene Blue RS Synonym
- Polymon Blue 3R Synonym
- Ponsol Blue GZ Synonym
- Ponsol Blue RCL Synonym
- Ponsol Blue RPC Synonym
- Ponsol Brilliant Blue R Synonym
- Ponsol RP Synonym
- Romantrene Blue FRS Synonym
- Romantrene Blue GGSL Synonym
- Romantrene Blue RSZ Synonym
- Romantrene Brilliant Blue R Synonym
- Romantrene Brilliant Blue FR Synonym
- Sandothrene Blue NRSC Synonym
- Sandothrene Blue NRSN Synonym
- Sanyo Threne Blue IRN Synonym
- Solanthrene Blue RS Synonym
- Solanthrene Blue RSN Synonym
- Solanthrene R for Sugar Synonym
- Symuler Fast Blue 6011 Synonym
- Tinon Blue RS Synonym
- Tinon Blue RSN Synonym
- Tyrian Blue I-RSN Synonym
- Tyrian Brilliant Blue I-R Synonym
- Vat Blue O Synonym
- Vat Fast Blue R Synonym
- Versal Blue GGSL Synonym
- Vulcafix Fast Blue SD Synonym
- Vulcafor Fast Blue 3R Synonym
- Vulcanosine Fast Blue GG Synonym
- Vulcol Fast Blue S Synonym
- Vynamon Blue 3R Synonym
- Romanthrene Blue FRS Synonym
- Cromophtal Blue A 3R Synonym
- Indanthrene Blue Synonym
- Vat Blue 4 Synonym
- Indanthren Blue Synonym
- Monolite Fast Blue SRS Synonym
- Anthraquinone Deep Blue Synonym
- Pigment Anthraquinone Deep Blue Synonym
- Pigment Deep Blue Anthraquinone Synonym
- Pigment Blue Anthraquinone Synonym
- Anthraquinone blue Synonym
- Vat Blue OD Synonym
- Heliogen Blue 6470 Synonym
- Cibanone Blue RS Synonym
- Lionogen Blue R Synonym
- Pigment Blue Anthraquinone V Synonym
- Monolite Blue 3R Synonym
- Sumikacoat Fast Blue BS Synonym
- Suprapal Blue 2XS5A760 Synonym
- Indanthrene Blue GZ Synonym
- KET Blue 101 Synonym
- Paliogen Blue K 6470 Synonym
- Paliogen Blue 6470 Synonym
- Paliogen Blue D 6470 Synonym
- C.I. Food Blue 4 Synonym
- Food Blue 4 Synonym
- Paliogen Blue L 6480 Synonym
- Indanthrone blue Synonym
- Paliogen Blue L 6482 Synonym
- Indanthrone blue (Chinese) Synonym
- Novatic Blue R Synonym
- DM Light Blue KT Synonym
- DM Light Blue KT Crude Synonym
- Microlith Blue A 3R-K Synonym
- Paliogen Blue L 6385 Synonym
- Pigment Blue 60 Synonym
- Fastogen Super Blue 6070S Synonym
- Fastogen Super Blue 6075 Synonym
- Vat Blue RSN Synonym
- Vat Blue RS Synonym
- Fastogen Super Blue 6101 Synonym
- Paliogen Blue L 6495F Synonym
- Fuji AS Blue Synonym
- Fuji AS Blue 65 Synonym
- Blue A 3R-K Synonym
- Hostaperm Blue RL 01 Synonym
- Irgazin Blue A 3RN Synonym
- A 3RN Synonym
- NSC 47739 Synonym
- NSC 652900 Synonym
- Indanthren Blue IRN Synonym
- Heliogen Blue K 6330 Synonym
- Reduced Blue RS Synonym
- Reduced Blue RSN Synonym
- Reduction Blue RSN Synonym
- Cibanone Blue RS-PT 9860 Synonym
- SPB 10 Synonym
- Paliogen Blue L 6470 Synonym
- PB 60 Synonym
- Monolite Blue 3RX Synonym
- Cibanone Blue RSJ Synonym
- Indanthren Blue A 3R Synonym
- Palomar Delta Blue 60 Synonym
- Lionogen Blue 6510 Synonym
- Indanthrene-5,9,14,18-tetraone Synonym
- Paliogen Blau L 6385 Synonym
- Lionol Blue 6510 Synonym
- L 6480 Synonym
- DCC Blue A 3R Synonym
- Paliogen L 6360 Synonym
- PV Fast Blue L 6472 Synonym
- Blue L 6470 Synonym
- Blue L 6385 Synonym
- Blue L 6495F Synonym
- MHI Blue PD 289M Synonym
- Ranbar Blue P 5060P5061 Synonym
- Ranbar Blue P 5060/5061 Synonym
- Indanthrone Blue 60 Synonym
- A 3R-K Synonym
- Pigment Blue GR Synonym
- Paliogen Blue L 6360 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 442.43 g/mol | CAS Common Chemistry |
| 442.4300000000002 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Indanthrone_blue | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4NC=5C(=CC=C6C(=O)C=7C=CC=CC7C(=O)C65)NC43 | CAS Common Chemistry |
| InChI | InChI=1S/C28H14N2O4/c31-25-13-5-1-3-7-15(13)27(33)21-17(25)9-11-19-23(21)29-20-12-10-18-22(24(20)30-19)28(34)16-8-4-2-6-14(16)26(18)32/h1-12,29-30H | CAS Common Chemistry |
| InChI Key | InChIKey=UHOKSCJSTAHBSO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 485 °C (decomp) | CAS Common Chemistry |
| Name | Pigment Blue 60 | CAS Common Chemistry |
| Indanthrone blue | CAS Common Chemistry | |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 99.85999999999999 Ų | RDKit |
| 99.86 Ų | RDKit | |
| 92.28 Ų | chempirical lib | |
| LogP | 4.140600000000002 | RDKit |
| 4.1406 | RDKit | |
| Molar Refractivity | 136.44539999999998 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 442.095356928 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
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.
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MW = 442.43 g/mol. Edit any field — others recompute live.
