Back to Search
Pigment Red 12
CAS: 6410-32-8 | C25H20N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6410-32-8
Molecular Formula:
C25H20N4O4
Molecular Mass:
440.46 g/mol
Names and Synonyms:
Pigment Red 12
2-Naphthalenecarboxamide, 3-hydroxy-4-[2-(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)-
C.I. Pigment Red 12
2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)-
3-Hydroxy-4-[2-(2-methyl-4-nitrophenyl)diazenyl]-N-(2-methylphenyl)-2-naphthalenecarboxamide
C.I. 12385
Confast Bordeaux 2R
Eljon Fast Bordeaux 2R
Fast Bordeaux F 2R
Irgalite Bordeaux F 2R
Kromon Bordeaux 2R
Monolite Fast Bordeaux 2R
Monolite Fast Bordeaux 2RA
Permanent Bordeaux F 2R
Permanent Bordeaux FRR
Pigment Bordeaux F 2R
Pigment Bordeaux 2R
Recolite Fast Bordeaux 2R
Sanyo Toluidine Maroon Light No. 1
Segnale Light Bordeaux F 2R
Sico Bordeaux P 2
Siloton Bordeaux F 2R
Syton Fast Bordeaux F 2R
Pigment Red 12
Pigment Bordeaux K
Bordeaux K
Bordeau K
Naphthol Bordeaux FRR
Bordeaux F 2R
Identifiers:
SMILES:
Cc1cc([N+](=O)[O-])ccc1N=Nc1c(O)c(C(O)=Nc2ccccc2C)cc2ccccc12
InChI:
InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31)
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 | 440.46 g/mol | CAS Common Chemistry |
| 440.4590000000002 g/mol | RDKit | |
| 440.14845512 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4C)N(=O)=O)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C25H20N4O4/c1-15-7-3-6-10-21(15)26-25(31)20-14-17-8-4-5-9-19(17)23(24(20)30)28-27-22-12-11-18(29(32)33)13-16(22)2/h3-14,30H,1-2H3,(H,26,31) | CAS Common Chemistry |
| InChI Key | InChIKey=KDLDNQQRGJAGIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 12 | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 120.68 Ų | RDKit |
| LogP | 7.122140000000005 | RDKit |
| Molar Refractivity | 127.62700000000001 | RDKit |
