2-Acetoxyphenylzinc iodide
Product Information
Molecular Formula
CH3CO2C6H4ZnI
Molecular Weight
327.43
Description
2-Acetoxyphenylzinc iodide is widely used in research and development to prepare drugs to combat a wide range of conditions from cardiovascular to neurological disorders.
Synonyms
2-Acetoxyphenylzinc iodide; MFCD03840885; AKOS016018034; 2-Acetoxyphenylzinc iodide, 0.5 M in THF; 2-Acetoxyphenylzinc iodide 0.5 M in Tetrahydrofuran; 2-Acetoxyphenylzinc iodide, 0.5M in tetrahydrofuran;
IUPAC Name
iodozinc(1+)phenyl acetate
SMILES
CC(=O)OC1=CC=CC=[C-]1.[Zn+]I
InChI
InChI=1S/C8H7O2.HI.Zn/c1-7(9)10-8-5-3-2-4-6-8/h2-5H,1H31H/q-1+2/p-1
InChI Key
CYZILVDKWXOAOO-UHFFFAOYSA-M
Boiling Point
65 °C
Flash Point
1.4 °F - closed cup
Density
1.033 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
3
Rotatable Bond Count
2
Exact Mass
325.87822 g/mol
Monoisotopic Mass
325.87822 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
231
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
