1-HEXYLZINC BROMIDE
Product Information
Molecular Formula
C6H13BrZn
Molecular Weight
230.46
Description
1-Hexylzinc Bromide is a key reagent in the biomedical industry primarily used in the synthesis of various pharmaceutical compounds. Its reactive nature allows for efficient alkylation in drug manufacturing.
Synonyms
1-HEXYLZINC BROMIDE; HEXYLZINC BROMIDE; HEXYLZINC BROMIDE, 0.5M SOLUTION IN TETR A-HYDROFURAN; hexylzinc bromide solution
IUPAC Name
bromozinc(1+)hexane
SMILES
CCCCC[CH2-].[Zn+]Br
InChI
InChI=1S/C6H13.BrH.Zn/c1-3-5-6-4-2/h1,3-6H2,2H31H/q-1+2/p-1
InChI Key
IWFHUAMVSWOCPN-UHFFFAOYSA-M
Flash Point
1.4 °F - closed cup
Purity
95%
Density
0.965 g/mL at 25 °C
Appearance
brown to black 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
3
Exact Mass
227.94920 g/mol
Monoisotopic Mass
227.94920 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
24.5
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
