1-Amino-4-((4-((4-Chloro-6-((Sulfophenyl)Amino)-1,3,5-Triazin-2-Yl)Amino)-3-Sulfophenyl)Amino)-9,10-Dihydro-9,10-Dioxo-2-Anthracenesulfonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C29H20ClN7O11S3
IUPAC Name 1-amino-4-[4-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]amino]-3-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid
Molecular Mass 774.157 g·mol−1
Heat of Formation -1276.1 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 742.63 Å 3
Surface Area 632.91 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-dioxo-anthracene-2-sulfonic acid
  • 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dioxo-2-anthracenesulfonic acid
  • 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dioxoanthracene-2-sulfonic acid
  • 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-s-triazin-2-yl]amino]-3-sulfo-phenyl]amino]-9,10-diketo-anthracene-2-sulfonic acid
  • 2-anthracenesulfonic acid, 1-amino-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-
  • 2-anthracenesulfonic acid, 1-amino-4-[[4-[[4-chloro-6-[(2-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-
  • cibacron blue
  • cibacron blue 3g-a
  • cibacron blue 3ga
CAS Number(s)
  • 84166-13-2
InChIKey YKCWQPZFAFZLBI-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S