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Home Halogens 2,2-Bis[3,5-Dibromo-4-(2,3-Dibromopropoxy)Phenyl]Propane

2,2-Bis[3,5-Dibromo-4-(2,3-Dibromopropoxy)Phenyl]Propane

CAS No.:
21850-44-2
Catalog Number:
AG003FA2
Molecular Formula:
C21H20Br8O2
Molecular Weight:
943.6143
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(HPLC)
In Stock USA
United States
$46
- +
25g
98%(HPLC)
In Stock USA
United States
$66
- +
100g
98%(HPLC)
In Stock USA
United States
$102
- +
500g
98%(HPLC)
In Stock USA
United States
$258
- +
Product Description
Catalog Number:
AG003FA2
Chemical Name:
2,2-Bis[3,5-Dibromo-4-(2,3-Dibromopropoxy)Phenyl]Propane
CAS Number:
21850-44-2
Molecular Formula:
C21H20Br8O2
Molecular Weight:
943.6143
MDL Number:
MFCD00017887
IUPAC Name:
1,3-dibromo-5-[2-[3,5-dibromo-4-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
InChI:
InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3
InChI Key:
LXIZRZRTWSDLKK-UHFFFAOYSA-N
SMILES:
BrCC(COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CBr)Br)(C)C)Br
EC Number:
244-617-5
Properties
Complexity:
472  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
943.485g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
943.621g/mol
Monoisotopic Mass:
935.493g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6  
Literature
Title Journal
Investigation of extraction procedures and HPLC-DAD/MS for the determination of the brominated flame retardant tetrabromobisphenol A bis(2,3-dibromopropylether) in environmental samples. Analytical and bioanalytical chemistry 20060401
Properties