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Pigment Yellow 14
CAS: 5468-75-7 | C34H30Cl2N6O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5468-75-7
Molecular Formula:
C34H30Cl2N6O4
Molecular Weight:
657.5580000000001 g/mol
Names and Synonyms:
Pigment Yellow 14
Sunfast Yellow 14
Atul Vulcan Fast Pigment Oil Yellow T
C.I. 21095
2,2′-[(3,3′-Dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methylphenyl)-3-oxobutanamide]
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo-
C.I. Pigment Yellow 14
Benzidine Yellow OT
Permanent Yellow GSO
Lionol Yellow TT 1405G
Permanent Yellow G-MX
4400T
Lightfast Yellow 2GS
Panax Yellow 2GS
Permanent Yellow 14
EMF Yellow HG
YPD 9773Y14
Magruder YE 1400
YE 1400
PY 14
Symuler Fast Yellow 4400T
Sunbrite Yellow 274-2168
YE 1400DC
Unisperse Yellow BRM-PI
NSC 15087
Sun Diaryl Yellow AAOT 14
Spectra Pac C Yellow 14
Pigmatex Yellow 2G
Pollux Yellow PM-L 5G
Sunbrite Yellow 14
Irgalite Yellow BRM
Symuler Fast Yellow 4400
Pollux Yellow PP 5G
KET Yellow 404
Lionol Yellow GGTN
Pigment Yellow GGP
Sumikaprint Yellow GFN
Lionol Yellow GGR
Permanent Yellow G
Seikafast Yellow 2200
Permanent Yellow Light
Graphtol Yellow GXS
Pigment Yellow 14
Segnale Yellow 2GR
Symuler Fast Yellow 4090G
AAOT Yellow
Benzidine Yellow AAOT
Diarylide Yellow AAOT
Permagen Yellow
Irgalite Yellow BRE
Vynamon Yellow 2GE
Vynamon Yellow 2G
Vulcan Fast Yellow G
Vulcafor Fast Yellow 2G
Versal Fast Yellow PG
Tertropigment Yellow BG
Butanamide, 2,2′-[(3,3′-dichloro[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[N-(2-methylphenyl)-3-oxo-
Tertropigment Fast Yellow VG
Symuler Fast Yellow 5GF
Sumatra Yellow X 1940
Silotermo Yellow G
Silogomma Fast Yellow 2G
Sanyo Benzidine Yellow
Sacandaga Yellow X 2476
Rubber Fast Yellow GA
Resamine Yellow GP
Resamine Fast Yellow GGP
Recolite Fast Yellow B 2T
Radiant Yellow
Plastol Yellow GP
Plastol Yellow GG
Pigment Yellow GPP
Pigment Yellow 2G
Pigment Fast Yellow GP
Pigment Fast Yellow 2GP
Permagen Yellow GA
No. 55 Conc. Pale Yellow SF
Light Yellow JBVT
Light Yellow JBV
Lake Yellow GA
Isol Benzidine Yellow GO
Irgalite Yellow BR
Hostaperm Yellow GTT
Hostaperm Yellow GT
Calcotone Yellow GP
Bis(acetyl-N-o-tolylcarbamylmethyl)-4,4′-bisazo-3,3′-dichlorobiphenyl
Benzidine Yellow OTYA 8055
Benzidine Yellow GGT
Benzidine Yellow L
Benzidine Yellow ABZ 249
Benzidine Yellow G
Identifiers:
SMILES:
CC(=O)C(N=Nc1ccc(-c2ccc(N=NC(C(C)=O)C(O)=Nc3ccccc3C)c(Cl)c2)cc1Cl)C(O)=Nc1ccccc1C
InChI:
InChI=1S/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 657.5580000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 656.1705588 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 46 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 8 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 4 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 148.76 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 9.936239999999996 | RDKit |
| molecular_mass | 657.56 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NC=1C=CC=CC1C)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4C)C(=O)C)C(Cl)=C3)C(=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C34H30Cl2N6O4/c1-19-9-5-7-11-27(19)37-33(45)31(21(3)43)41-39-29-15-13-23(17-25(29)35)24-14-16-30(26(36)18-24)40-42-32(22(4)44)34(46)38-28-12-8-6-10-20(28)2/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46) None | Legacy Database |
| cas-inchi-key | InChIKey=LQZFGPJGXVFSTR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Yellow 14 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 181.67359999999962 | RDKit |
