Brillant blue

Base Information

• Chemical Name: Brillant blue
• CAS No.: 25305-78-6
• Deprecated CAS: 1314161-42-6,70858-35-4,741187-95-1,765228-06-6,807260-64-6,82910-93-8,83689-53-6
• Molecular Formula: C37H36N2O9S3
• Molecular Weight: 748.8847
• UNII: 1Y6J4O88C8
• DSSTox Substance ID: DTXSID1043758
• ChEMBL ID: CHEMBL3350615
• Mol file: 25305-78-6.mol

Synonyms:Brillant blue;1Y6J4O88C8;25305-78-6;Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt;N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfobenzenemethanaminium inner salt;N-ETHYL-N-(4-((4-(ETHYL((3-SULFOPHENYL)METHYL)AMINO)PHENYL)(2-SULFOPHENYL)METHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-3-SULFONATOBENZENEMETHANAMINIUM;CHEMBL3350615;DTXSID1043758;J291.097G

Chemical Property of Brillant blue

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 748.15829425
• Heavy Atom Count: 51
• Complexity: 1540

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)[O-]