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Molecule
Pigment Red 146
CAS: 5280-68-2 · C33H27ClN4O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5280-68-2
- Molecular Formula
- C33H27ClN4O6
- Molecular Mass
- 611.05 g/mol
Identifiers
CAS Registry Number
5280-68-2
SMILES
COc1cc(N=C(O)c2cc3ccccc3c(N=Nc3cc(C(O)=Nc4ccccc4)ccc3OC)c2O)c(OC)cc1Cl
InChI Key
HEKSHDRHZRCZBN-UHFFFAOYSA-N
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)
Names and Synonyms
- Pigment Red 146 Synonym
- 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]- Synonym
- 2-Naphthanilide, 4′-chloro-3-hydroxy-2′,5′-dimethoxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]azo]- Synonym
- 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]- Synonym
- N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[2-[2-methoxy-5-[(phenylamino)carbonyl]phenyl]diazenyl]-2-naphthalenecarboxamide Synonym
- Permanent Carmine FBB Extra Synonym
- C.I. Pigment Red 146 Synonym
- Helio Fast Carmine BB Synonym
- Vulcan Fast Carmine FBB Synonym
- C.I. 12485 Synonym
- Permanent Carmine FBB Synonym
- Renol Carmine FBB-H Synonym
- Permanent Carmine FBB 02 Synonym
- Pigment Red 146 Synonym
- Microlith Red 3R-A Synonym
- Symuler Fast Red 4195 Synonym
- Hydrocolor Red Synonym
- Seikafast Carmine 3870 Synonym
- Lionol Red 5620 Synonym
- Symuler Fast Red 4580 Synonym
- Karmine FBB 02 Synonym
- Symuler Fast Red 4590 Synonym
- Sandye Super Pink FBL Synonym
- C.I. PR 146 Synonym
- Naphtol Carmine 4635C Synonym
- PR 146 Synonym
- Sunbrite Red 146 Synonym
- Permanent Carmine FBB 02JP Synonym
- Fuji Fast Carmine 550 Synonym
- Pigment Pink 4602 Synonym
- Sanyo Pigment Pink 4602 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 611.05 g/mol | CAS Common Chemistry |
| 611.0540000000002 g/mol | RDKit | |
| 611.054 g/mol | RDKit | |
| 611.051 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 610.1619122639999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 611.05 g/mol. Edit any field — others recompute live.
