ChemSpider 2D Image | Pigment Yellow 13 | C36H34Cl2N6O4

Pigment Yellow 13

  • Molecular FormulaC36H34Cl2N6O4
  • Average mass685.599 Da
  • Monoisotopic mass684.201843 Da
  • ChemSpider ID66158

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C.I. Pigment Yellow 13
2,2'-[(3,3'-Dichlor-4,4'-biphenyldiyl)di(E)-2,1-diazendiyl]bis[N-(2,4-dimethylphenyl)-3-oxobutanamid] [German] [ACD/IUPAC Name]
2,2'-[(3,3'-Dichloro-4,4'-biphenyldiyl)di(E)-2,1-diazenediyl]bis[N-(2,4-dimethylphenyl)-3-oxobutanamide] [ACD/IUPAC Name]
2,2'-[(3,3'-Dichloro-4,4'-biphényldiyl)di(E)-2,1-diazènediyl]bis[N-(2,4-diméthylphényl)-3-oxobutanamide] [French] [ACD/IUPAC Name]
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxo-
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)di(E)-2,1-diazenediyl]bis[N-(2,4-dimethylphenyl)-3-oxo- [ACD/Index Name]
Pigment Yellow 13
108563-17-3 [RN]
1264-07-9 [RN]
12642-91-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

O8RYS681QI [DBID]
UNII:O8RYS681QI [DBID]
C.I. 21100 [DBID]
CI 21100 [DBID]
NSC 5336 [DBID]
NSC5336 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 799.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 437.3±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 188.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 9.16
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 790.82
ACD/KOC (pH 5.5): 637.26
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 182.77
ACD/KOC (pH 7.4): 147.28
Polar Surface Area: 142 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 527.4±7.0 cm3

Click to predict properties on the Chemicalize site


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