6-Chloro-2-[2-(3-[(6-chloro-1-ethylbenz[c,d,]indole-2[1H]-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1-ethylbenz[c,d]indolium tetrafluoroborate

Base Information

• Chemical Name: 6-Chloro-2-[2-(3-[(6-chloro-1-ethylbenz[c,d,]indole-2[1H]-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1-ethylbenz[c,d]indolium tetrafluoroborate
• CAS No.: 100012-45-1
• Molecular Formula: C41H33BCl2F4N2
• Molecular Weight: 711.42
• European Community (EC) Number: 634-511-0
• Mol file: 100012-45-1.mol

Synonyms:100012-45-1;6-Chloro-2-[2-(3-[(6-chloro-1-ethylbenz[c,d,]indole-2[1H]-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1-ethylbenz[c,d]indolium tetrafluoroborate;ir1051;3274U;(2E)-6-chloro-2-[(2E)-2-[3-[(E)-2-(6-chloro-1-ethylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]-1-ethylbenzo[cd]indole;tetrafluoroborate;IR-1051, Dye content 95 %;AKOS015958427;6-CHLOR-2-[2-[3-[(6-CHLOR-1-ETHYL-2H-BENZO[CD]INDOL-2-YLIDEN)-ETHYLIDEN]-2-PHENYL-1-CYCLOPENTEN-1-YL]-ETHENYL]-1-ETHYL-BENZO[CD]INDOLIUM TETRAFLUOROBORATE;6-CHLORO-2-[2-(3-[(6-CHLORO-1-ETHYLBENZ[C,D,]INDOLE-2[1H]-YLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOPENTEN

Chemical Property of 6-Chloro-2-[2-(3-[(6-chloro-1-ethylbenz[c,d,]indole-2[1H]-ylidene)ethylidene]-2-phenyl-1-cyclopenten-1-yl)ethenyl]-1-ethylbenz[c,d]indolium tetrafluoroborate

Chemical Property:

• Melting Point: 230 °C (dec.)(lit.)
• PSA: 7.94000
• LogP: 11.92960
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 710.2049973
• Heavy Atom Count: 50
• Complexity: 1220

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-CHLORO-2-[2-(3-[(6-CHLORO-1-ETHYLBENZ[C,D,]INDOLE-2[1H]-YLIDENE)ETHYLIDENE]-2-PHENYL-1-CYCLOPENTEN-1-YL)ETHENYL]-1-ETHYLBENZ[C,D]INDOLIUM TETRAFLUOROBORATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.CCN1C2=C3C(=C(C=C2)Cl)C=CC=C3C1=CC=C4CCC(=C4C5=CC=CC=C5)C=CC6=[N+](C7=C8C6=CC=CC8=C(C=C7)Cl)CC
• Isomeric SMILES: [B-](F)(F)(F)F.CCN\1C2=C3C(=C(C=C2)Cl)C=CC=C3/C1=C\C=C\4/CCC(=C4C5=CC=CC=C5)/C=C/C6=[N+](C7=C8C6=CC=CC8=C(C=C7)Cl)CC