3-(Trifluoromethyl)benzylzinc chloride solution
Product Information
Molecular Formula
F3CC6H4CH2ZnCl
Molecular Weight
259.97
Description
3-(Trifluoromethyl)benzylzinc chloride solution is used in the biomedical industry for its potential in the synthesis of various drugs. In addition, the solution’s active compound, 3-(Trifluoromethyl)benzylzinc chloride, has high reactivity, allowing it to effectively participate in organic reactions for drug synthesis.
Synonyms
3-(trifluoromethyl)benzylzinc chloride; 3-Trifluoromethylbenzylzinc chloride 0.5 M in Tetrahydrofuran; AKOS016018008; 3-TRIFLUOROMETHYLBENZYLZINC CHLORIDE; 3-Trifluoromethylbenzylzinc chloride, 0.50 M in THF; 3-Trifluoromethylbenzylzinc chloride, 0.5M in tetrahydrofuran
IUPAC Name
chlorozinc(1+)1-methanidyl-3-(trifluoromethyl)benzene
SMILES
[CH2-]C1=CC(=CC=C1)C(F)(F)F.Cl[Zn+]
InChI
InChI=1S/C8H6F3.ClH.Zn/c1-6-3-2-4-7(5-6)8(9,10)11/h2-5H,1H21H/q-1+2/p-1
InChI Key
UEALDMCKGWKINH-UHFFFAOYSA-M
Boiling Point
65 °C
Flash Point
1.4 °F - closed cup
Density
0.986 g/mL at 25 °C
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
4
Rotatable Bond Count
0
Exact Mass
257.940154 g/mol
Monoisotopic Mass
257.940154 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
138
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
