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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 Weight: 442.4300000000002 g/mol

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

Identifiers:

SMILES:
O=c1c2ccccc2c(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12
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

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.

External Resources

PubChem CAS NIST

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 442.43 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Indanthrone_blue None Legacy Database
cas-canonical-smile O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4NC=5C(=CC=C6C(=O)C=7C=CC=CC7C(=O)C65)NC43 None Legacy Database
cas-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 None Legacy Database
cas-inchi-key InChIKey=UHOKSCJSTAHBSO-UHFFFAOYSA-N None Legacy Database
cas-melting-point 485 °C (decomp) None Legacy Database
cas-name Pigment Blue 60 None Legacy Database
wikipedia-name Indanthrone blue None Legacy Database
LogP 4.140600000000002 RDKit

Molecular

Property Value Source
Molecular Weight 442.4300000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 442.095356928 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 34 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 7 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 99.85999999999999 Ų RDKit

Molar

Property Value Source
Molar Refractivity 136.44539999999998 RDKit

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