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Molecule
Filester Red GA
CAS: 20749-68-2 · C18H6Cl4N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20749-68-2
- Molecular Formula
- C18H6Cl4N2O
- Molecular Mass
- 408.07 g/mol
Identifiers
CAS Registry Number
20749-68-2
SMILES
O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C2=Nc3cccc4cccc(c34)N12
InChI Key
UBZVRROHBDDCQY-UHFFFAOYSA-N
InChI
InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H
Names and Synonyms
- Filester Red GA Synonym
- Solvent Red 162 Synonym
- Solvent Red 135 Synonym
- 12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro- Synonym
- 12-Phthaloperinone, 8,9,10,11-tetrachloro- Synonym
- 8,9,10,11-Tetrachloro-12H-phthaloperin-12-one Synonym
- Oplas Red 339 Synonym
- C.I. Solvent Red 135 Synonym
- C.I. Solvent Red 162 Synonym
- Solvent Red 135 Synonym
- Solvaperm Red G Synonym
- Diaresin Red HS Synonym
- Sumiplast Red H 3G Synonym
- Macrolex Red E-G Synonym
- Estofil Red S-GFP Synonym
- Polysynthren Red G Synonym
- C.I. 564120 Synonym
- Sandoplast Red G Synonym
- Polysynthren Red GFP Synonym
- SR 135 Synonym
- Oracet Red 344 Synonym
- Red GFP Synonym
- Keyplast Red AG Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 408.07 g/mol | CAS Common Chemistry |
| 408.07100000000014 g/mol | RDKit | |
| 408.071 g/mol | RDKit | |
| 408.059 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C=2C(Cl)=C(Cl)C(Cl)=C(Cl)C2C3=NC4=CC=CC=5C=CC=C(C45)N13 | CAS Common Chemistry |
| InChI | InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=UBZVRROHBDDCQY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Solvent Red 135 | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 32.67 Ų | RDKit |
| 32.44 Ų | chempirical lib | |
| LogP | 6.505500000000001 | RDKit |
| 6.5055 | RDKit | |
| Molar Refractivity | 103.43649999999998 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 405.923423532 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 408.07 g/mol. Edit any field — others recompute live.
