2,6-DIFLUOROBENZYLZINC BROMIDE
Product Information
Molecular Formula
C7H5BrF2Zn
Molecular Weight
272.41
Description
2,6-Difluorobenzylzinc Bromide is a specialized reagent used in the synthesis of biologically active compounds. It's pivotal in the production of pharmaceutical drugs designed against various diseases, mainly encompassing fluoro-containing organics.
Synonyms
bromozinc(1+); 1,3-difluoro-2-methanidylbenzene; 307496-33-9; MolPort-001-776-719; 2,6-DIFLUOROBENZYLZINCBROMIDE; PC6863
IUPAC Name
bromozinc(1+)1,3-difluoro-2-methanidylbenzene
SMILES
[CH2-]C1=C(C=CC=C1F)F.[Zn+]Br
InChI
InChI=1S/C7H5F2.BrH.Zn/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChI Key
GCXVBPCJIZAPER-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Purity
95%
Density
0.981
Appearance
Brown to black liquid
Storage
2-8°C
Safety Information
Hazards
H225 - H261 - H302 - H319 - H335 - H336 - H351
Precautionary Statement
P201 - P210 - P231 + P232 - P301 + P312 - P305 + P351 + P338 - P308 + P313
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
269.88341 g/mol
Monoisotopic Mass
269.88341 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
92.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
2
Compound Is Canonicalized
Yes
