HDITCperchlorate

Base Information

• Chemical Name: HDITCperchlorate
• CAS No.: 23178-67-8
• Deprecated CAS: 102279-15-2,91372-10-0
• Molecular Formula: C37H37ClN2O4
• Molecular Weight: 609.15
• European Community (EC) Number: 245-474-1
• Mol file: 23178-67-8.mol

Synonyms:HDITCperchlorate;1,1',3,3,3',3'-Hexamethyl-4,4',5,5'-di-benzo-2,2'-indotricarbocyanine perchlorate;23178-67-8;CS-0435272;1,1,3-Trimethyl-2-((1E,3E,5E,7E)-7-(1,1,3-trimethyl-1H-benzo[e]indol-2(3H)-ylidene)hepta-1,3,5-trien-1-yl)-1H-benzo[e]indol-3-ium perchlorate

Chemical Property of HDITCperchlorate

Chemical Property:

• Melting Point: 190.6 °C (dec.)(lit.)
• Refractive Index: 1.6290 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 80.52000
• Density: g/cm³
• LogP: 9.21720
• Solubility.: H2O: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 608.2441854
• Heavy Atom Count: 44
• Complexity: 1080

Purity/Quality:

99% ^*data from raw suppliers

1,1',3,3,3',3'-HEXAMETHYL-4,4',5,5'-DI-BENZO-2,2'-INDOTRICARBOCYANINE PERCHLORATE 99.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38-43
• Safety Statements: 24/25-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=CC=C4C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[O-]Cl(=O)(=O)=O
• Isomeric SMILES: CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C=C/C=C/C=C\4/C(C5=C(N4C)C=CC6=CC=CC=C65)(C)C)C.[O-]Cl(=O)(=O)=O

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