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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
Indanthrone
5,9,14,18-Anthrazinetetrone, 6,15-dihydro-
Indanthrene
6,15-Dihydro-5,9,14,18-anthrazinetetrone
C.I. 69800
Atic Vat Blue XRN
Benzadone Blue RS
Blue O
Blue anthraquinone pigment
Calcoloid Blue RS
Caledon Blue RN
Caledon Blue XRN
Caledon Brilliant Blue RN
Caledon Paper Blue RN
Caledon Printing Blue RN
Caledon Printing Blue XRN
Carbanthrene Blue 2R
Carbanthrene Blue RS
Carbanthrene Blue RSP
Celliton Blue RN
Cibanone Blue FRS
Cibanone Blue FRSN
Cibanone Brilliant Blue FR
C.I. Pigment Blue 60
C.I. Vat Blue 4
N,N′-Dihydro-1,2,1′,2′-anthraquinonazine
Fenan Blue RSN
Fenanthren Blue RS
Graphtol Blue RL
Helianthrene Blue RS
Indanthren Blue GP
Indanthren Blue GPT
Indanthren Blue RPT
Indanthren Blue RS
Indanthren Blue RSN
Indanthren Blue RSP
Indanthren Brilliant Blue R
Indanthrene Blue GP
Indanthrene Blue RP
Indanthrene Blue RS
Indanthrene Blue RSN
Indanthren Printing Blue FRS
Indanthren Printing Blue KRS
Lake Fast Blue BS
Lake Fast Blue GGS
Latexol Fast Blue SD
Lutetia Fast Blue RS
Medium Blue
Mikethrene Blue RSN
Mikethrene Brilliant Blue R
Monolite Fast Blue 3R
Monolite Fast Blue 3RD
Monolite Fast Blue RV
Navinon Blue RSN
Navinon Blue RSN Reddish Special
Nihonthrene Blue RSN
Nihonthrene Brilliant Blue RP
Ostanthren Blue RS
Ostanthren Blue RSN
Ostanthren Blue RSZ
Ostanthrene Blue RS
Palanthrene Blue GPT
Palanthrene Blue GPZ
Palanthrene Blue RPT
Palanthrene Blue RPZ
Palanthrene Blue RSN
Palanthrene Brilliant Blue R
Palanthrene Printing Blue KRS
Paradone Blue RS
Paradone Brilliant Blue R
Paradone Printing Blue FRS
Pernithrene Blue RS
Polymon Blue 3R
Ponsol Blue GZ
Ponsol Blue RCL
Ponsol Blue RPC
Ponsol Brilliant Blue R
Ponsol RP
Romantrene Blue FRS
Romantrene Blue GGSL
Romantrene Blue RSZ
Romantrene Brilliant Blue R
Romantrene Brilliant Blue FR
Sandothrene Blue NRSC
Sandothrene Blue NRSN
Sanyo Threne Blue IRN
Solanthrene Blue RS
Solanthrene Blue RSN
Solanthrene R for Sugar
Symuler Fast Blue 6011
Tinon Blue RS
Tinon Blue RSN
Tyrian Blue I-RSN
Tyrian Brilliant Blue I-R
Vat Blue O
Vat Fast Blue R
Versal Blue GGSL
Vulcafix Fast Blue SD
Vulcafor Fast Blue 3R
Vulcanosine Fast Blue GG
Vulcol Fast Blue S
Vynamon Blue 3R
Romanthrene Blue FRS
Cromophtal Blue A 3R
Indanthrene Blue
Vat Blue 4
Indanthren Blue
Monolite Fast Blue SRS
Anthraquinone Deep Blue
Pigment Anthraquinone Deep Blue
Pigment Deep Blue Anthraquinone
Pigment Blue Anthraquinone
Anthraquinone blue
Vat Blue OD
Heliogen Blue 6470
Cibanone Blue RS
Lionogen Blue R
Pigment Blue Anthraquinone V
Monolite Blue 3R
Sumikacoat Fast Blue BS
Suprapal Blue 2XS5A760
Indanthrene Blue GZ
KET Blue 101
Paliogen Blue K 6470
Paliogen Blue 6470
Paliogen Blue D 6470
C.I. Food Blue 4
Food Blue 4
Paliogen Blue L 6480
Indanthrone blue
Paliogen Blue L 6482
Indanthrone blue (Chinese)
Novatic Blue R
DM Light Blue KT
DM Light Blue KT Crude
Microlith Blue A 3R-K
Paliogen Blue L 6385
Pigment Blue 60
Fastogen Super Blue 6070S
Fastogen Super Blue 6075
Vat Blue RSN
Vat Blue RS
Fastogen Super Blue 6101
Paliogen Blue L 6495F
Fuji AS Blue
Fuji AS Blue 65
Blue A 3R-K
Hostaperm Blue RL 01
Irgazin Blue A 3RN
A 3RN
NSC 47739
NSC 652900
Indanthren Blue IRN
Heliogen Blue K 6330
Reduced Blue RS
Reduced Blue RSN
Reduction Blue RSN
Cibanone Blue RS-PT 9860
SPB 10
Paliogen Blue L 6470
PB 60
Monolite Blue 3RX
Cibanone Blue RSJ
Indanthren Blue A 3R
Palomar Delta Blue 60
Lionogen Blue 6510
Indanthrene-5,9,14,18-tetraone
Paliogen Blau L 6385
Lionol Blue 6510
L 6480
DCC Blue A 3R
Paliogen L 6360
PV Fast Blue L 6472
Blue L 6470
Blue L 6385
Blue L 6495F
MHI Blue PD 289M
Ranbar Blue P 5060P5061
Ranbar Blue P 5060/5061
Indanthrone Blue 60
A 3R-K
Pigment Blue GR
Paliogen Blue L 6360
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.
All Properties
Comprehensive physical and chemical properties
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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.140600000000002 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 136.44539999999998 | RDKit |
