Benzylzinc bromide
Product Information
Molecular Formula
C7H7BrZn
Molecular Weight
236.42
Description
Benzylzinc bromide solution can be used as a nucleophile for the Mannich-type synthesis of 1,2-diarylethylpiperazines. It can also undergo C−C cross coupling reactions with aryl halides.
Synonyms
BENZYLZINC BROMIDE; BENZYLZINC BROMIDE, 0.5M SOLUTION IN TET RAHYDROFURAN; benzylzinc bromide solution
IUPAC Name
bromozinc(1+)methanidylbenzene
SMILES
[CH2-]C1=CC=CC=C1.[Zn+]Br
InChI
InChI=1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7/h2-6H,1H21H/q-1+2/p-1
InChI Key
WRSWIWOVJBYZAW-UHFFFAOYSA-M
Flash Point
1.0 °F - closed cup
Density
0.978 g/mL at 25 °C
Appearance
Brown liquid
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
1
Rotatable Bond Count
0
Exact Mass
233.90225 g/mol
Monoisotopic Mass
233.90225 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
50.9
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
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021069567-A1 | Novel heteroaryl-triazole compounds as pesticides | 2019-10-09 |
| WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 2019-01-10 |
| US-10144746-B2 | Bridged bicyclic kallikrein inhibitors | 2015-06-12 |
| US-2016362427-A1 | Bridged bicyclic kallikrein inhibitors | 2015-06-12 |
| US-2018194780-A1 | Bridged bicyclic kallikrein inhibitors | 2015-06-12 |
| US-9815853-B2 | Bridged bicyclic kallikrein inhibitors | 2015-06-12 |
| WO-2016201052-A1 | Bridged bicyclic kallikrein inhibitors | 2015-06-12 |
| EP-3191465-A1 | Herbicidal quinolines | 2014-09-12 |
| EP-3191465-B1 | Herbicidal quinolines | 2014-09-12 |
| US-2017251670-A1 | Herbicidal quinolines | 2014-09-12 |
