1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Base Information

• Chemical Name: 1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
• CAS No.: 25965-91-7
• Molecular Formula: C32H25 Cl N6 O12 S3
• Molecular Weight: 817.2219
• European Community (EC) Number: 247-379-0
• UNII: 9KFS8WX2MP
• DSSTox Substance ID: DTXSID60180630
• Mol file: 25965-91-7.mol

Synonyms:EINECS 247-379-0;9KFS8WX2MP;25965-91-7;1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid;1-Amino-4-(3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonicacid;2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-(4-sulfophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-;1-amino-4-[[3-[[4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid;UNII-9KFS8WX2MP;C32H25ClN6O12S3;DTXSID60180630;C32-H25-Cl-N6-O12-S3;1-AMINO-4-((3-((4-CHLORO-6-(4-SULFOPHENOXY)-1,3,5-TRIAZIN-2-YL)AMINO)-2,4,6-TRIMETHYL-5-SULFOPHENYL)AMINO)-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULFONIC ACID

Chemical Property of 1-Amino-4-((3-((4-chloro-6-(4-sulphophenoxy)-1,3,5-triazin-2-yl)amino)-2,4,6-trimethyl-5-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 323.60000
• Density: 1.728g/cm³
• LogP: 8.14590
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 9
• Exact Mass: 816.0381115
• Heavy Atom Count: 54
• Complexity: 1740

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1NC2=NC(=NC(=N2)Cl)OC3=CC=C(C=C3)S(=O)(=O)O)C)S(=O)(=O)O)C)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)O