Back to Search
Pigment Red 146
CAS: 5280-68-2 | C33H27ClN4O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5280-68-2
Molecular Formula:
C33H27ClN4O6
Molecular Mass:
611.05 g/mol
Names and Synonyms:
Pigment Red 146
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-
2-Naphthanilide, 4′-chloro-3-hydroxy-2′,5′-dimethoxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]azo]-
2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-
N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-2-naphthalenecarboxamide
Permanent Carmine FBB Extra
C.I. Pigment Red 146
Helio Fast Carmine BB
Vulcan Fast Carmine FBB
C.I. 12485
Permanent Carmine FBB
Renol Carmine FBB-H
Permanent Carmine FBB 02
Pigment Red 146
Microlith Red 3R-A
Symuler Fast Red 4195
Hydrocolor Red
Seikafast Carmine 3870
Lionol Red 5620
Symuler Fast Red 4580
Karmine FBB 02
Symuler Fast Red 4590
Sandye Super Pink FBL
C.I. PR 146
Naphtol Carmine 4635C
PR 146
Sunbrite Red 146
Permanent Carmine FBB 02JP
Fuji Fast Carmine 550
Pigment Pink 4602
Sanyo Pigment Pink 4602
Identifiers:
SMILES:
COc1cc(N=C(O)c2cc3ccccc3c(N=Nc3cc(C(O)=Nc4ccccc4)ccc3OC)c2O)c(OC)cc1Cl
InChI:
InChI=1S/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-18-28(43-2)24(34)17-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41)
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 | 611.05 g/mol | CAS Common Chemistry |
| 611.0540000000002 g/mol | RDKit | |
| 610.1619122639999 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1)C2=CC=C(OC)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC(OC)=C(Cl)C=C5OC)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-18-28(43-2)24(34)17-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41) | CAS Common Chemistry |
| InChI Key | InChIKey=HEKSHDRHZRCZBN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 146 | CAS Common Chemistry |
| Heavy Atom Count | 44 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 137.82 Ų | RDKit |
| LogP | 8.9126 | RDKit |
| Molar Refractivity | 171.43239999999972 | RDKit |
