Bromonitrostyrene

Base Information

• Chemical Name: Bromonitrostyrene
• CAS No.: 7166-19-0
• Molecular Formula: C₈H₆BrNO₂
• Molecular Weight: 228.045
• European Community (EC) Number: 230-515-8
• DSSTox Substance ID: DTXSID3024653
• Wikidata: Q106627874
• Mol file: 7166-19-0.mol

Synonyms:beta-bromo-beta-nitrostyrene

Chemical Property of Bromonitrostyrene

Chemical Property:

• Vapor Pressure: 0.00493mmHg at 25°C
• Melting Point: 153℃ (ethyl acetate )
• Refractive Index: 1.6120 (estimate)
• Boiling Point: 285.1°Cat760mmHg
• Flash Point: 126.2°C
• PSA: 29.43000
• Density: 1.632g/cm³
• LogP: 3.14630
• 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:

98%,99%, ^*data from raw suppliers

(2-BROMO-2-NITROVINYL)BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bromonitrostyrene

There total 13 articles about Bromonitrostyrene 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:

N-(2-bromo-2-nitro-1-phenyl-ethyl)-p-toluidine (344319-06-8) + water (7732-18-5) → benzaldehyde (100-52-7) + p-toluidine (106-49-0,12221-03-3) + (2-bromo-2-nitroethenyl)benzene (7166-19-0,18315-81-6,39674-40-3)

Guidance literature:

upstream raw materials:

bromonitromethane

benzaldehyde

bromostyrene

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

Downstream raw materials:

1-Brom-1,3-dinitro-2-phenyl-pentan

((4S,5R)-3-Bromo-2-oxy-4-phenyl-4,5-dihydro-isoxazol-5-yl)-phenyl-methanone

1,1-Dimethoxy-2-nitro-1-phenylethan

Refernces

• 1、 -. "Cinnamic acid derivative and preparation method and application thereof". Paragraph 0210; 0211; 0213-0217. . Retrieved 2019/10/22.
• 2、 Romashov, Leonid V.,Khomutova, Yulya A.,Danilenko, Vitaliy M.,Ioffe, Sema L.,Lesiv, Alexey V.. "Synthesis and [3+2] cycloadditions of 3-bromo-5,6-dihydro-4 H -1,2-oxazine N -oxides". experimental part. p. 407 - 414. Retrieved 2010/05/18.