3-METHYLBENZYLZINC CHLORIDE
Product Information
Molecular Formula
C8H9ClZn
Molecular Weight
206
Description
3-Methylbenzylzinc chloride is a versatile reagent widely used in the biomedical industry. It plays a crucial role in the synthesis of pharmaceutical drugs targeting various diseases, including cancer, inflammation, and neurological disorders.
Synonyms
3-METHYLBENZYLZINC CHLORIDE; 3-METHYLBENZYLZINC CHLORIDE, 0.5M SOLUTI; 3-methylbenzylzinc chloride solution
IUPAC Name
chlorozinc(1+)1-methanidyl-3-methylbenzene
SMILES
CC1=CC=CC(=C1)[CH2-].Cl[Zn+]
InChI
InChI=1S/C8H9.ClH.Zn/c1-7-4-3-5-8(2)6-7;;/h3-6H,1H2,2H3;1H;/q-1;;+2/p-1
InChI Key
FFHVTPVONCJGLZ-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Purity
95%
Density
0.964
Appearance
Faint brown to very dark brown 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
1
Rotatable Bond Count
0
Exact Mass
203.968420 g/mol
Monoisotopic Mass
203.968420 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
75.7
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
