ChemSpider 2D Image | C.I. Pigment Blue 61 | C37H29N3O3S

C.I. Pigment Blue 61

  • Molecular FormulaC37H29N3O3S
  • Average mass595.709 Da
  • Monoisotopic mass595.192932 Da
  • ChemSpider ID14381135

  • Double-bond stereo - Double-bond stereo

More details:

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

1324-76-1 [RN]
2-[(4-{(Z)-(4-Anilinophenyl)[(4Z)-4-(phenylimino)-2,5-cyclohexadien-1-yliden]methyl}phenyl)amino]benzolsulfonsäure [German] [ACD/IUPAC Name]
2-[(4-{(Z)-(4-Anilinophenyl)[(4Z)-4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl}phenyl)amino]benzenesulfonic acid [ACD/IUPAC Name]
2-[(4-{(Z)-(4-anilinophenyl)[(4Z)-4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]benzenesulfonic acid
2-[(4-{(Z)-[4-(phenylamino)phenyl][(4Z)-4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl}phenyl)amino]benzenesulfonic acid
Acide 2-[(4-{(Z)-(4-anilinophényl)[(4Z)-4-(phénylimino)-2,5-cyclohexadién-1-ylidène]méthyl}phényl)amino]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, [[4-[[4-(phenylamino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]-
Benzenesulfonic acid, 2-[[4-[(Z)-[4-(phenylamino)phenyl][(4Z)-4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]- [ACD/Index Name]
C.I. Pigment Blue 61

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 177.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 54.42
ACD/KOC (pH 5.5): 102.13
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 10.41
ACD/KOC (pH 7.4): 19.54
Polar Surface Area: 99 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 487.7±7.0 cm3

Click to predict properties on the Chemicalize site


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