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Solvent Red 135
CAS: 71902-17-5 | C18H6Cl4N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71902-17-5
Molecular Formula:
C18H6Cl4N2O
Molecular Mass:
408.07 g/mol
Names and Synonyms:
Solvent Red 135
Oracet Red 344
Red GFP
Keyplast Red AG
12H-Phthaloperin-12-one, 8,9,10,11-tetrachloro-
12-Phthaloperinone, 8,9,10,11-tetrachloro-
8,9,10,11-Tetrachloro-12H-phthaloperin-12-one
Oplas Red 339
C.I. Solvent Red 135
C.I. Solvent Red 162
Solvent Red 135
Filester Red GA
Solvent Red 162
Solvaperm Red G
Diaresin Red HS
Sumiplast Red H 3G
Macrolex Red E-G
Estofil Red S-GFP
Polysynthren Red G
C.I. 564120
Sandoplast Red G
Polysynthren Red GFP
SR 135
Identifiers:
SMILES:
O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C2=Nc3cccc4cccc(c34)N12
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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5
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 408.07 g/mol | CAS Common Chemistry |
| 408.07100000000014 g/mol | RDKit | |
| 405.923423532 g/mol | RDKit | |
| 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 |
| LogP | 6.505500000000001 | RDKit |
| Molar Refractivity | 103.43649999999998 | RDKit |
