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Pigment Red 179
CAS: 5521-31-3 | C26H14N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5521-31-3
Molecular Formula:
C26H14N2O4
Molecular Weight:
418.40800000000024 g/mol
Names and Synonyms:
Pigment Red 179
Perrindo Maroon 179
Maroon 179 229-6438
Hostatint Red A-P 2Y
Perrindo Maroon 179-229-8801
Perrind Maroon 179-229-6438
L 3920
Black FK 4280
Lumogen FK 4280
C.I. PR 179
Perrind Maroon 179-229-6440
Perrindo Maroon 179-229-6438
Lumogen Black FK 4280
Irgazin Red 379
PR 179
Irgazin Red 179
Perrindo Maroon 179R6436-229-6436
Paliogenrot 3885
Perylene-3,4,9,10-tetracarboxylic acid N,N′-bismethylimide
Paliogen Red L 3875
Irgazin Maroon 3379
Irgazin Red 2273
Me-PTCDI
Hostafine Red P 2GL
Indanthren Red FGL
N,N′-Dimethyl-3,4,9,10-perylenetetracarboximide
Perylene Maroon R 6436
N,N′-Dimethylperylene-3,4,9,10-dicarboximide
Sunfast Red 179-229-2179
N,N′-Dimethylperylenetetracarboxylic bisimide
Paliogen Red L 3885
Paliogen Red L 4120
Maroon R 6436
2,9-Dimethylantra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10-tetrone
Hostaperm Red P 2GL-WD
Perrindo Maroon 6424
Perrindo Maroon R 6424
Paliogen Maroon L 3980
Pigment Red 179
Poliagen Maroon 3920
Fastogen Super Maroon PSK
N-Methyl-3,4,9,10-perylenetetracarboxyldiimide
Paliogen Maroon L 3820
Variogen Maroon L 4020
Perrindo Maroon R 6436
Indanthrene Red
Hostaperm Red P 2GL
Paliogen Maroon L 3920
N,N′-Dimethylperylene-3,4:9,10-bis(dicarboximide)
Perylene maroon
Paliogen Red 4120
Paliogen Maroon L 4020
Variogen Maroon 3920
Perylene Bordeaux
Pigment Bordeaux Perylene
Pigment Perylene Bordeaux
C.I. Pigment Red 179
Paliogen Maroon 3920
N,N′-Dimethylperylene-3,4,9,10-tetracarboxylic acid diimide
N,N′-Dimethylperylene-3,4,9,10-tetracarboxylic 3,4:9,10-diimide
N,N′-Dimethyl-3,4,9,10-perylenetetracarboxylic diimide
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-bis(N-methylimide)
Perylene 3,4,9,10-tetracarboxylic acid bis(methylimide)
Ponsol Red YF
Palanthrene Red GG
Indanthren Red GG
C.I. Vat Red 23
Caledon Red 2G
Caledon Red 2GN
C.I. 71130
2,9-Dimethylanthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N′-dimethyl-
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-
Identifiers:
SMILES:
CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C)C5=O
InChI:
InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 418.41 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Pigment_Red_179 None | Legacy Database |
| cas-canonical-smile | O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1C)=C2C37)C4=C56)C None | Legacy Database |
| cas-inchi | InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PJQYNUFEEZFYIS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 207-208 °C None | Legacy Database |
| cas-name | Pigment Red 179 None | Legacy Database |
| wikipedia-name | Pigment Red 179 None | Legacy Database |
| LogP | 4.188800000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 418.40800000000024 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 418.09535692799994 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 32 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 5 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 74.76 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 120.50000000000007 | RDKit |
