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Search term: Reactive Blue 5 (Found by approved synonym)

ChemSpider 2D Image | Reactive Blue 5 | C29H20ClN7O11S3

Reactive Blue 5

  • Molecular FormulaC29H20ClN7O11S3
  • Average mass774.157 Da
  • Monoisotopic mass773.007141 Da
  • ChemSpider ID77201

More details:






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

1-Amino-4-{[3-({4-chlor-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracensulfonsäure [German] [ACD/IUPAC Name]
1-Amino-4-{[3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid [ACD/IUPAC Name]
1-Amino-4-{[3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
240-844-9 [EINECS]
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- [ACD/Index Name]
Acide 1-amino-4-{[3-({4-chloro-6-[(3-sulfophényl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophényl]amino}-9,10-dioxo-9,10-dihydro-2-anthracènesulfonique [French] [ACD/IUPAC Name]
Reactive Blue 5
[16823-51-1]
12236-83-8 [RN]
12237-94-4 [RN]
More...
  • Miscellaneous
    • Chemical Class:

      Anthraquinone carrying amino, sulfo and [3-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfophenyl]amino substituents at positions 1, 2 and 4 respectively. ChEBI CHEBI:61311

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.785
Molar Refractivity: 176.9±0.4 cm3
#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: 323 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 114.6±3.0 dyne/cm
Molar Volume: 419.4±3.0 cm3

Click to predict properties on the Chemicalize site






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