3-CHLOROBENZYLZINC CHLORIDE
Product Information
Molecular Formula
C7H6Cl2Zn
Molecular Weight
226.42
Description
3-CHLOROBENZYLZINC CHLORIDE is a versatile reagent in the field of biomedicine and exhibits immense potential for enabling intricate cross-coupling reactions pivotal in synthesizing an array of aromatic compounds. Its profound influence extends to the production of pharmaceutical drugs and agrochemicals. Moreover, this entity assumes a critical role in combating diverse ailments by empowering the incorporation of pivotal molecular functionalities, consequently augmenting the efficacy of drugs.
Synonyms
3-CHLOROBENZYLZINC CHLORIDE; 3-CHLOROBENZYLZINC CHLORIDE, 0.5M SOLUTI ONIN TETRAHYDROFURAN; 3-chlorobenzylzinc chloride solution
IUPAC Name
1-chloro-3-methanidylbenzenechlorozinc(1+)
SMILES
[CH2-]C1=CC(=CC=C1)Cl.Cl[Zn+]
InChI
InChI=1S/C7H6Cl.ClH.Zn/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H2;1H;/q-1;;+2/p-1
InChI Key
ICUOPRHOUZCMIM-UHFFFAOYSA-M
Flash Point
1.0 °F - closed cup
Purity
95%
Density
0.969
Appearance
lLight to dark brown liquid
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
1
Rotatable Bond Count
0
Exact Mass
223.913797 g/mol
Monoisotopic Mass
223.913797 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
78
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
