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Pigment Red 8
CAS: 6410-30-6 | C24H17ClN4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6410-30-6
Molecular Formula:
C24H17ClN4O4
Molecular Mass:
460.88 g/mol
Names and Synonyms:
Pigment Red 8
2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-
C.I. Pigment Red 8
2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-
N-(4-Chlorophenyl)-3-hydroxy-4-[2-(2-methyl-5-nitrophenyl)diazenyl]-2-naphthalenecarboxamide
C.I. 12335
Confast Crimson 4R
Fast Red F4R
Irgalite Red 4RS
Irgalite Red 4RSX
Kromon Red 4R
Monolite Red 4R
Naftol Red RN 1510
Pigment Red F 4R
Pigment Red 4R
Recolite Fast Red 4R
Sanyo Rubine FR
Segnale Light Red 4RS
Siloton Red F 4R
Syton Fast Red 4R
Versal Fast Red F 4R
Pigment Red 8
Sico Fast Red P 4R
Permanent Red F 4R
PR 8
Identifiers:
SMILES:
Cc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12
InChI:
InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(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 | 460.88 g/mol | CAS Common Chemistry |
| 460.87700000000007 g/mol | RDKit | |
| 460.093832704 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(Cl)C=C1)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)N(=O)=O)=C2O | CAS Common Chemistry |
| InChI | InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31) | CAS Common Chemistry |
| InChI Key | InChIKey=ITHKKUPWEBSLAJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 8 | 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 | 117.19 Ų | RDKit |
| LogP | 7.083120000000004 | RDKit |
| Molar Refractivity | 127.0274 | RDKit |
