2,3,4,5,6-Pentabromoethylbenzene

• Catalog Number: ACM85223-1
• Product Name: 2,3,4,5,6-Pentabromoethylbenzene
• CAS: 85-22-3
• Category: Heterocyclic Organic Compound
• Synonyms: Benzene, pentabromoethyl-
• IUPAC Name: 1,2,3,4,5-Pentabromo-6-ethylbenzene
• Molecular Weight: 500.64
• Molecular Formula: C8H5Br5
• Canonical SMILES: CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br
• InChI: InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3
• InChI Key: FIAXCDIQXHJNIX-UHFFFAOYSA-N
• Boiling Point: 367.74 °C
• Melting Point: 138 °C
• Flash Point: 197.2ºC
• Density: 2.464g/cm³
• Complexity: 158
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 201-593-0
• Exact Mass: 499.6267
• Formal Charge: 0
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 499.6267
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 0 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0

Custom Reviews

July 19, 2023

Chemical standard

2,3,4,5,6-Pentabromoethylbenzene has a high purity and can be used as an analytical standard.