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Molecule
Pigment Yellow 83
CAS: 5567-15-7 · C36H32Cl4N6O8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5567-15-7
- Molecular Formula
- C36H32Cl4N6O8
- Molecular Mass
- 818.50 g/mol
Identifiers
CAS Registry Number
5567-15-7
SMILES
COc1cc(N=C(O)C(N=Nc2ccc(-c3ccc(N=NC(C(C)=O)C(O)=Nc4cc(OC)c(Cl)cc4OC)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl
InChI Key
NKXPXRNUMARIMZ-UHFFFAOYSA-N
InChI
InChI=1S/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)23(39)13-31(27)53-5)45-43-25-9-7-19(11-21(25)37)20-8-10-26(22(38)12-20)44-46-34(18(2)48)36(50)42-28-16-30(52-4)24(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)
Names and Synonyms
- Pigment Yellow 83 Common Name
- Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo- Synonym
- Acetoacetanilide, 2,2′′-[(3,3′-dichloro-4,4′-biphenylylene)bis(azo)]bis[4′-chloro-2′,5′-dimethoxy- Synonym
- Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo- Synonym
- 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide] Synonym
- Permanent Yellow HR Extra Synonym
- Symuler Fast Yellow HFS Synonym
- C.I. Pigment Yellow 83 Synonym
- Vulcan Fast Yellow HR Synonym
- PV Fast Yellow HR Synonym
- Pigment Yellow 83 Synonym
- Permanent Yellow HR Synonym
- Disazo Yellow Synonym
- Permanent Yellow HR 11-1400 Synonym
- PV Yellow HR Synonym
- Graphtol Yellow RCL Synonym
- Pergantine Yellow 2RN-LA Synonym
- Symuler Fast Yellow 4181 Synonym
- Segnale Light Yellow R Synonym
- Sumitone Fast Yellow HRT Synonym
- Symuler Fast Yellow 4173 Synonym
- Novoperm Yellow HR Synonym
- Aquafine Yellow E 12 Synonym
- Permanent Yellow HR 70 Synonym
- Imperial yellow Synonym
- Seikafast Yellow 2770 Synonym
- Sanyo Pigment Yellow TRG Synonym
- Chromofine Yellow 2700(L) Synonym
- Special Yellow HR Synonym
- Helio Fast Yellow HRN Synonym
- Sanyo Pigment Yellow IRC Synonym
- Lionol Yellow 1805G Synonym
- Symuler Fast Yellow 4181NR Synonym
- C.I. 21108 Synonym
- Microlith Yellow 2R-A Synonym
- Seikafast Yellow 2700 Synonym
- Seikafast Yellow 2720 Synonym
- Sunfast Yellow 83 Synonym
- Sunbrite Yellow 83 Synonym
- Hydrocolor Yellow Synonym
- Sunbrite Yellow 83 275-0570 Synonym
- Microlith Yellow 2R-K Synonym
- Irgalite Yellow B 3R Synonym
- Lionol Yellow NBR Synonym
- Microlith Yellow 2R-WA Synonym
- Spectra Pac Yellow 83 Synonym
- Imperon Golden Yellow K-RN Synonym
- Lionol Yellow 1823G Synonym
- Lionol Yellow FG 1842 Synonym
- FG 1842 Synonym
- 2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide Synonym
- Novoperm yellow HR 02 Synonym
- Colanyl Yellow HRD Synonym
- HR 70 Yellow Synonym
- Seikafast Yellow 2700B Synonym
- Novoperm Yellow HR 70 Synonym
- Irgalite Yellow B 3RN Synonym
- Hostafine Yellow HR Synonym
- Microlen Yellow B 3RS-MC Synonym
- PY 83 Synonym
- Imperon Gold Yellow K-RN Synonym
- Novoperm Yellow HR 04 Synonym
- PV Fast Yellow HR 02 Synonym
- Monolite Diarylide Yellow HR Synonym
- Yellow HR 02 Synonym
- Fuji SP Yellow 4341 Synonym
- Diacetanil Yellow HTT 8318C Synonym
- Lionol Yellow TT 1805G Synonym
- HR 02 Synonym
- Benzidine Yellow HR Synonym
- Levanyl Yellow HR-LF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 818.50 g/mol | CAS Common Chemistry |
| 818.4979999999999 g/mol | RDKit | |
| 818.498 g/mol | RDKit | |
| 818.486 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NC1=CC(OC)=C(Cl)C=C1OC)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC4=CC(OC)=C(Cl)C=C4OC)C(=O)C)C(Cl)=C3)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C36H32Cl4N6O8/c1-17(47)33(35(49)41-27-15-29(51-3)23(39)13-31(27)53-5)45-43-25-9-7-19(11-21(25)37)20-8-10-26(22(38)12-20)44-46-34(18(2)48)36(50)42-28-16-30(52-4)24(40)14-32(28)54-6/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50) | CAS Common Chemistry |
| InChI Key | InChIKey=NKXPXRNUMARIMZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Yellow 83 | CAS Common Chemistry |
| Heavy Atom Count | 54 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 15 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 185.67999999999992 Ų | RDKit |
| 185.68 Ų | RDKit | |
| LogP | 10.66059999999999 | RDKit |
| 10.6606 | RDKit | |
| Molar Refractivity | 208.42759999999964 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 816.103572704 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 818.50 g/mol. Edit any field — others recompute live.
