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Permanent Red GY
CAS: 6535-46-2 | C24H16Cl3N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6535-46-2
Molecular Formula:
C24H16Cl3N3O2
Molecular Weight:
484.7700000000002 g/mol
Names and Synonyms:
Permanent Red GY
Synonym
Pigment Red 112
Synonym
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-
Synonym
C.I. Pigment Red 112
Synonym
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-
Synonym
3-Hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-2-naphthalenecarboxamide
Synonym
C.I. 12370
Synonym
Helio Fast Red BB
Synonym
Helio Fast Red BBN
Synonym
Helio Fast Red BBT
Synonym
Isol Aryl Red GR
Synonym
Permanent Red L
Synonym
Permanent Red FGR
Synonym
Sanyo Permanent Red FN
Synonym
Segnale Light Red FGR
Synonym
Sanyo Permanent Red FNG
Synonym
Unisperse Red 3RS-P
Synonym
Pigment Red 112
Synonym
KET Red 304
Synonym
Flexonyl Red FGR-LA
Synonym
Special Red FGR
Synonym
Irgalite Red 3RS
Synonym
Sico Fast Red L 3855
Synonym
Luconyl Red 3855
Synonym
Oriental Fast Red GR
Synonym
Naphthol Red FGR
Synonym
Permanent Red FGR 02
Synonym
Unisperse Red 3RS-E2
Synonym
Disperse Red SDP 110T
Synonym
Disperse Red 38-5507
Synonym
Dispers Red 38-5507
Synonym
Sanyo Permanent Red 1206
Synonym
Renol Red FGR-HW
Synonym
Xfast Red 3855
Synonym
Colanyl Red FGRX
Synonym
PR 112
Synonym
Colanyl Red FGRG 100
Synonym
Permanent Red FGR 70
Synonym
C.I. PR 112
Synonym
Hostafine Red FGR
Synonym
SicoFast Red 3855
Synonym
Fast Red FGR
Synonym
3-Hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide
Synonym
Irgalite Red D 3865
Synonym
Identifiers:
SMILES:
Cc1ccccc1N=C(O)c1cc2ccccc2c(N=Nc2cc(Cl)c(Cl)cc2Cl)c1O
InChI:
InChI=1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 484.77 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=C(Cl)C=C4Cl)=C2O None | Legacy Database |
| cas-inchi | InChI=1S/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32) None | Legacy Database |
| cas-inchi-key | InChIKey=JQNJCQYNSLCFAC-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Red 112 None | Legacy Database |
| LogP | 8.865719999999998 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 484.7700000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 483.03080979199996 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 | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 77.54 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 131.2656 | RDKit |