3-Fluorobenzylzinc chloride solution
Product Information
Molecular Formula
FC6H4CH2ZnCl
Molecular Weight
209.96
Description
3-Fluorobenzylzinc chloride solution is an organometallic compound containing zinc atoms bonded to 3-fluorobenzyl groups and chloride ions. It is commonly used as a reagent in organic synthesis, especially in cross-coupling reactions such as the Suzuki-Miyaura reaction. This solution is typically prepared by reacting 3-fluorobenzyl chloride with zinc metal in the presence of a chloride source such as zinc chloride or hydrochloric acid.
Synonyms
3-Fluorobenzylzinc chloride; 3-Fluorobenzylzinc chloride, 0.50 M in THF; chlorozinc(1+); 1-fluoro-3-methanidylbenzene; 3-Fluorobenzylzinc chloride, 0.5M in THF; 3-Fluorobenzylzinc chloride 0.5 M in Tetrahydrofuran
IUPAC Name
chlorozinc(1+)1-fluoro-3-methanidylbenzene
SMILES
[CH2-]C1=CC(=CC=C1)F.Cl[Zn+]
InChI
InChI=1S/C7H6F.ClH.Zn/c1-6-3-2-4-7(8)5-6/h2-5H,1H21H/q-1+2/p-1
InChI Key
ZQWLTSYIDLVERT-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Density
0.965 g/mL at 25 °C
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
2
Rotatable Bond Count
0
Exact Mass
207.943348 g/mol
Monoisotopic Mass
207.943348 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
80
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
