2-CHLORO-6-FLUOROBENZYLZINC CHLORIDE
Product Information
Molecular Formula
C7H5Cl2FZn
Molecular Weight
244.41
Description
2-Chloro-6-Fluorobenzylzinc Chloride is a specialized biochemical compound utilized in synthesis of pharmaceuticals. Its unique properties help as an intermediate in producing drugs to treat various neurological and cardiovascular diseases.
Synonyms
2-CHLORO-6-FLUOROBENZYLZINC CHLORIDE; 2-CHLORO-6-FLUOROBENZYLZINC CHLORIDE, 0.; 2-chloro-6-fluorobenzylzinc chloride solution
IUPAC Name
1-chloro-3-fluoro-2-methanidylbenzenechlorozinc(1+)
SMILES
[CH2-]C1=C(C=CC=C1Cl)F.Cl[Zn+]
InChI
InChI=1S/C7H5ClF.ClH.Zn/c1-5-6(8)3-2-4-7(5)9;;/h2-4H,1H2;1H;/q-1;;+2/p-1
InChI Key
FSRXWZMAKIGTQE-UHFFFAOYSA-M
Boiling Point
65 °C
Flash Point
1.0 °F - closed cup - Not applicable
Purity
95%
Density
0.991
Storage
2-8°C
Safety Information
Hazards
H225 - H302 - H319 - H335 - H351
Precautionary Statement
P210 - P280 - P301 + P312 + P330 - P305 + P351 + P338 - P370 + P378 - P403 + P235
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
241.904375 g/mol
Monoisotopic Mass
241.904375 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
102
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
