(2-Bromo-2-nitrovinyl)benzene

Base Information

• Chemical Name: (2-Bromo-2-nitrovinyl)benzene
• CAS No.: 18315-81-6
• Molecular Formula: C8H6BrNO2
• Molecular Weight: 228.045
• European Community (EC) Number: 230-515-8
• UNII: S9XA2L7QIA
• DSSTox Substance ID: DTXSID80860003
• Nikkaji Number: J518.196H,J8.901J
• Wikidata: Q27289099
• Pharos Ligand ID: 138ZHWW9251F
• ChEMBL ID: CHEMBL4752812
• Mol file: 18315-81-6.mol

Synonyms:beta-bromo-beta-nitrostyrene

Chemical Property of (2-Bromo-2-nitrovinyl)benzene

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.95819
• Heavy Atom Count: 12
• Complexity: 192

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C1=CC=C(C=C1)C=C([N+](=O)[O-])Br
• Isomeric SMILES: C1=CC=C(C=C1)/C=C(/[N+](=O)[O-])\Br

Technology Process of (2-Bromo-2-nitrovinyl)benzene

There total 21 articles about (2-Bromo-2-nitrovinyl)benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

(2-nitroethenyl)benzene (102-96-5) → (2-bromo-2-nitroethenyl)benzene (7166-19-0,18315-81-6,39674-40-3)

Guidance literature:

With bromine; sodium acetate; acetic acid;

Reference yield: 89.0%

bromonitromethane (563-70-2) + N-benzylidenebutan-1-amine (1077-18-5) → (2-bromo-2-nitroethenyl)benzene (7166-19-0,18315-81-6,39674-40-3)

Guidance literature:

With acetic anhydride; at 18 - 20 ℃; for 5h;

Reference yield: 87.0%

nitrostyrene (5153-67-3) → (Z)-2-bromo-2-nitro-1-phenylethene (18315-81-6)

Guidance literature:

With bromine; sodium acetate; In chloroform; at 0 ℃; Reflux;

DOI:10.1016/j.bmc.2020.115624

upstream raw materials:

bromonitromethane

benzaldehyde

bromostyrene

(1,2-dibromo-2-nitroethyl)benzene

Downstream raw materials:

3-nitro-4-phenyl-1H-pyrazole

3-bromo-4-phenyl-1⁽²⁾H-pyrazole

N-(2-bromo-2-nitro-1-phenyl-ethyl)-p-toluidine

phenylnitroacetylene