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Home Halogens Benzene, 1,3,5-tris(bromomethyl)-

Benzene, 1,3,5-tris(bromomethyl)-

CAS No.:
18226-42-1
Catalog Number:
AG0023JH
Molecular Formula:
C9H9Br3
Molecular Weight:
356.8798
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$82
- +
5g
>98.0%(GC)
1 week
United States
$169
- +
Product Description
Catalog Number:
AG0023JH
Chemical Name:
Benzene, 1,3,5-tris(bromomethyl)-
CAS Number:
18226-42-1
Molecular Formula:
C9H9Br3
Molecular Weight:
356.8798
MDL Number:
MFCD00182500
IUPAC Name:
1,3,5-tris(bromomethyl)benzene
InChI:
InChI=1S/C9H9Br3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H,4-6H2
InChI Key:
GHITVUOBZBZMND-UHFFFAOYSA-N
SMILES:
BrCc1cc(CBr)cc(c1)CBr
Properties
Complexity:
91.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.823g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.883g/mol
Monoisotopic Mass:
353.825g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
1,1'-[(5-Hy-droxy-methyl-1,3-phenyl-ene)bis-(methyl-ene)]dipyridin-4(1H)-one monohydrate. Acta crystallographica. Section E, Structure reports online 20110701
1,3,5-Tris(bromomethyl)benzene. Acta crystallographica. Section C, Crystal structure communications 20110601
A highly efficient, preorganized macrobicyclic receptor for halides based on CH... and NH...anion interactions. Journal of the American Chemical Society 20041006
Synthesis of a macrobicycle incorporating the tris(pyrazolyl)methane ligand. Organic letters 20040304
Properties