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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
Pigment Red 112
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-
C.I. Pigment Red 112
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-4-[(2,4,5-trichlorophenyl)azo]-
3-Hydroxy-N-(2-methylphenyl)-4-[2-(2,4,5-trichlorophenyl)diazenyl]-2-naphthalenecarboxamide
C.I. 12370
Helio Fast Red BB
Helio Fast Red BBN
Helio Fast Red BBT
Isol Aryl Red GR
Permanent Red L
Permanent Red FGR
Sanyo Permanent Red FN
Segnale Light Red FGR
Sanyo Permanent Red FNG
Unisperse Red 3RS-P
Pigment Red 112
KET Red 304
Flexonyl Red FGR-LA
Special Red FGR
Irgalite Red 3RS
Sico Fast Red L 3855
Luconyl Red 3855
Oriental Fast Red GR
Naphthol Red FGR
Permanent Red FGR 02
Unisperse Red 3RS-E2
Disperse Red SDP 110T
Disperse Red 38-5507
Dispers Red 38-5507
Sanyo Permanent Red 1206
Renol Red FGR-HW
Xfast Red 3855
Colanyl Red FGRX
PR 112
Colanyl Red FGRG 100
Permanent Red FGR 70
C.I. PR 112
Hostafine Red FGR
SicoFast Red 3855
Fast Red FGR
3-Hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide
Irgalite Red D 3865
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
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 | 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 8.865719999999998 | RDKit |
| 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 131.2656 | RDKit |
