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Home Other Building Blocks 1-Bromo-3-phenylpropane

1-Bromo-3-phenylpropane

CAS No.:
637-59-2
Catalog Number:
AG003E4F
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$32
- +
100g
95%
In Stock USA
United States
$88
- +
Product Description
Catalog Number:
AG003E4F
Chemical Name:
1-Bromo-3-phenylpropane
CAS Number:
637-59-2
Molecular Formula:
C9H11Br
Molecular Weight:
199.0876
MDL Number:
MFCD00000257
IUPAC Name:
3-bromopropylbenzene
InChI:
InChI=1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChI Key:
XMZQWZJMTBCUFT-UHFFFAOYSA-N
SMILES:
BrCCCc1ccccc1
EC Number:
211-294-7
UNII:
6VX623QN9V
NSC Number:
133438
Properties
Complexity:
74.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.091g/mol
Monoisotopic Mass:
198.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
Replacing conventional carbon nucleophiles with electrophiles: nickel-catalyzed reductive alkylation of aryl bromides and chlorides. Journal of the American Chemical Society 20120411
Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495). ChemMedChem 20111104
Improved tricyclic inhibitors of trypanothione reductase by screening and chemical synthesis. ChemMedChem 20090803
Synthesis of symmetrical organic carbonates via significantly enhanced alkylation of metal carbonates with alkyl halides/sulfonates in ionic liquid. The Journal of organic chemistry 20051223
Room-temperature Negishi cross-coupling of unactivated alkyl bromides with alkyl organozinc reagents utilizing a Pd/N-heterocyclic carbene catalyst. The Journal of organic chemistry 20051014
Mono- and dialkylations of pyrrole at C2 and C5 positions by nucleophilic substitution reaction in ionic liquid. Organic letters 20050331
Properties