2,3-DIMETHYLPHENYLZINC IODIDE
Product Information
Molecular Formula
C8H9IZn
Molecular Weight
297.45
Description
2,3-Dimethylphenylzinc Iodide is a key intermediate in drug synthesis and is used in drug development research for hypertension, diabetes and specific malignant tumors.
Synonyms
2,3-DIMETHYLPHENYLZINC IODIDE; 2,3-DIMETHYLPHENYLZINC IODIDE, 0.5M SOLU; 2,3-dimethylphenylzinc iodide solution
IUPAC Name
1,2-dimethylbenzene-6-ideiodozinc(1+)
SMILES
CC1=C([C-]=CC=C1)C.[Zn+]I
InChI
InChI=1S/C8H9.HI.Zn/c1-7-5-3-4-6-8(7)2;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1
InChI Key
COUGEENSJXVFJM-UHFFFAOYSA-M
Boiling Point
65 °C
Flash Point
1.4 °F - closed cup
Purity
95%
Density
1.026
Appearance
Light to 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
295.90404 g/mol
Monoisotopic Mass
295.90404 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
178
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
