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Home Halogens 3,5-Bis(trifluoromethyl)bromobenzene

3,5-Bis(trifluoromethyl)bromobenzene

CAS No.:
328-70-1
Catalog Number:
AG0033J2
Molecular Formula:
C8H3BrF6
Molecular Weight:
293.0038
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
500g
98%(GC)
In Stock USA
United States
$155
- +
Product Description
Catalog Number:
AG0033J2
Chemical Name:
3,5-Bis(trifluoromethyl)bromobenzene
CAS Number:
328-70-1
Molecular Formula:
C8H3BrF6
Molecular Weight:
293.0038
MDL Number:
MFCD00000381
IUPAC Name:
1-bromo-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChI Key:
CSVCVIHEBDJTCJ-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
206-334-5
NSC Number:
88284
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.932g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.006g/mol
Monoisotopic Mass:
291.932g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Efficient synthesis of novel NK1 receptor antagonists: selective 1,4-addition of grignard reagents to 6-chloronicotinic acid derivatives. The Journal of organic chemistry 20060303
Synthesis and biodistribution of [(11)C]R116301, a promising PET ligand for central NK(1) receptors. Bioorganic & medicinal chemistry 20050301
Properties