Back to Search
Pigment Red 112
CAS: 6535-46-2 | C24H16Cl3N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6535-46-2
- Molecular Formula
- C24H16Cl3N3O2
- Molecular Mass
- 484.77 g/mol
Identifiers
CAS Registry Number
6535-46-2
SMILES
Cc1ccccc1N=C(O)c1cc2ccccc2c(N=Nc2cc(Cl)c(Cl)cc2Cl)c1O
InChI Key
JQNJCQYNSLCFAC-UHFFFAOYSA-N
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)
Names and Synonyms
- 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 GY 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
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 484.77 g/mol | CAS Common Chemistry |
| 484.7700000000002 g/mol | RDKit | |
| 484.761 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=C(Cl)C=C4Cl)=C2O | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=JQNJCQYNSLCFAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 112 | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 77.54 Ų | RDKit |
| LogP | 8.865719999999998 | RDKit |
| 8.8657 | RDKit | |
| Molar Refractivity | 131.2656 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0417 | RDKit |
| 0.04 | chempirical lib | |
| Exact Mass | 483.03080979199996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
