Home Other Building Blocks 4-Bromobenzyl bromide

4-Bromobenzyl bromide

CAS No.:
589-15-1
Catalog Number:
AG0033Y9
Molecular Formula:
C7H6Br2
Molecular Weight:
249.9305
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0033Y9
Chemical Name:
4-Bromobenzyl bromide
CAS Number:
589-15-1
Molecular Formula:
C7H6Br2
Molecular Weight:
249.9305
MDL Number:
MFCD00000179
IUPAC Name:
1-bromo-4-(bromomethyl)benzene
InChI:
InChI=1S/C7H6Br2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2
InChI Key:
YLRBJYMANQKEAW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)Br
EC Number:
209-636-5
UNII:
3D1TTL8BGN
NSC Number:
113584
Properties
Complexity:
75  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.882g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.933g/mol
Monoisotopic Mass:
247.884g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors. Journal of medicinal chemistry 20120322
Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. Journal of medicinal chemistry 20120112
Synthesis and PET studies of [(11)C-cyano]letrozole (Femara), an aromatase inhibitor drug. Nuclear medicine and biology 20090201
3,6-Dibromo-9-(4-bromo-benz-yl)-9H-carbazole. Acta crystallographica. Section E, Structure reports online 20090201
Distributed Drug Discovery, Part 3: using D(3) methodology to synthesize analogs of an anti-melanoma compound. Journal of combinatorial chemistry 20090112
Distributed Drug Discovery, Part 2: global rehearsal of alkylating agents for the synthesis of resin-bound unnatural amino acids and virtual D(3) catalog construction. Journal of combinatorial chemistry 20090112
Solution-phase synthesis of an aminomethyl-substituted biaryl library via sequential amine N-alkylation and Suzuki cross-coupling. Journal of combinatorial chemistry 20010101
Properties