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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
Names and Synonyms:
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 GY
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 484.77 g/mol | CAS Common Chemistry |
| 484.7700000000002 g/mol | RDKit | |
| 483.03080979199996 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 131.2656 | RDKit |
