CAS
85222-97-5 Purity
96%
85222-97-5 Purity
96%
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2,3,4,5,6-Pentabromoethylbenzene
CAS
85-22-3
Catalog Number
ACM85223-1
Category
Other Products
Molecular Weight
500.64
Molecular Formula
C8H5Br5
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Specification
Synonyms
Benzene, pentabromoethyl-
IUPAC Name
1,2,3,4,5-Pentabromo-6-ethylbenzene
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
XLogP3-AA
6.2
July 19, 2023
Chemical standard
2,3,4,5,6-Pentabromoethylbenzene has a high purity and can be used as an analytical standard.
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