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Pigment Yellow 83
CAS: 5567-15-7 | C36H32Cl4N6O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5567-15-7
Molecular Formula:
C36H32Cl4N6O8
Molecular Weight:
818.4979999999999 g/mol
Names and Synonyms:
Pigment Yellow 83
Levanyl Yellow HR-LF
Benzidine Yellow HR
HR 02
Lionol Yellow TT 1805G
Diacetanil Yellow HTT 8318C
Fuji SP Yellow 4341
Yellow HR 02
Monolite Diarylide Yellow HR
PV Fast Yellow HR 02
Novoperm Yellow HR 04
Imperon Gold Yellow K-RN
PY 83
Microlen Yellow B 3RS-MC
Hostafine Yellow HR
Irgalite Yellow B 3RN
Novoperm Yellow HR 70
Seikafast Yellow 2700B
HR 70 Yellow
Colanyl Yellow HRD
Novoperm yellow HR 02
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
FG 1842
Lionol Yellow FG 1842
Lionol Yellow 1823G
Imperon Golden Yellow K-RN
Spectra Pac Yellow 83
Microlith Yellow 2R-WA
Lionol Yellow NBR
Irgalite Yellow B 3R
Microlith Yellow 2R-K
Sunbrite Yellow 83 275-0570
Hydrocolor Yellow
Sunbrite Yellow 83
Sunfast Yellow 83
Seikafast Yellow 2720
Seikafast Yellow 2700
Microlith Yellow 2R-A
C.I. 21108
Symuler Fast Yellow 4181NR
Lionol Yellow 1805G
Sanyo Pigment Yellow IRC
Helio Fast Yellow HRN
Special Yellow HR
Chromofine Yellow 2700(L)
Sanyo Pigment Yellow TRG
Seikafast Yellow 2770
Imperial yellow
Permanent Yellow HR 70
Aquafine Yellow E 12
Novoperm Yellow HR
Symuler Fast Yellow 4173
Sumitone Fast Yellow HRT
Segnale Light Yellow R
Symuler Fast Yellow 4181
Pergantine Yellow 2RN-LA
Graphtol Yellow RCL
PV Yellow HR
Permanent Yellow HR 11-1400
Disazo Yellow
Permanent Yellow HR
Pigment Yellow 83
PV Fast Yellow HR
Vulcan Fast Yellow HR
C.I. Pigment Yellow 83
Symuler Fast Yellow HFS
Permanent Yellow HR Extra
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide]
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(4-chloro-2,5-dimethoxyphenyl)-3-oxo-
Acetoacetanilide, 2,2′′-[(3,3′-dichloro-4,4′-biphenylylene)bis(azo)]bis[4′-chloro-2′,5′-dimethoxy-
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-
Identifiers:
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:
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)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 818.50 g/mol | Legacy Database |
| cas-canonical-smile | 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 None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=NKXPXRNUMARIMZ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Yellow 83 None | Legacy Database |
| LogP | 10.66059999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 818.4979999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 816.103572704 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 54 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 12 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 15 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 185.67999999999992 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 208.42759999999964 | RDKit |
