ChemSpider 2D Image | Reactive Blue 5(3-) | C29H17ClN7O11S3

Reactive Blue 5(3-)

  • Molecular FormulaC29H17ClN7O11S3
  • Average mass771.135 Da
  • Monoisotopic mass769.985291 Da
  • ChemSpider ID26332199

  • Charge - Charge

More details:

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

1-Amino-4-{[3-({4-chlor-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracensulfonat [German] [ACD/IUPAC Name]
1-Amino-4-{[3-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonate [ACD/IUPAC Name]
1-Amino-4-{[3-({4-chloro-6-[(3-sulfonatophényl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophényl]amino}-9,10-dioxo-9,10-dihydro-2-anthracènesulfonate [French] [ACD/IUPAC Name]
2-Anthracenesulfonic acid, 1-amino-4-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, ion(3-) [ACD/Index Name]
Reactive Blue 5(3-)
1-amino-4-{[3-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Reactive Blue 5
Reactive Blue 5 quinone

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

CHEBI:61331 [DBID]
  • Miscellaneous

    • Chemical Class:

      The organosulfonate oxoanion that is the trianion of Reactive Blue 5, formed by loss of a proton from each of the sulfo groups; major species at pH 7.3. ChEBI CHEBI:61331

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -5.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability:
Surface Tension:
Molar Volume:

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