trans-3-Bromo-beta-nitrostyrene

Base Information

Chemical Name:trans-3-Bromo-beta-nitrostyrene
CAS No.:115665-95-7
Molecular Formula:C₈H₆BrNO₂
Molecular Weight:228.045
Hs Code.:
European Community (EC) Number:626-388-7
Nikkaji Number:J1.244.288B,J2.283.810E
Wikidata:Q76313536
ChEMBL ID:CHEMBL445406
Mol file:115665-95-7.mol

Synonyms:115665-95-7;trans-3-Bromo-beta-nitrostyrene;(E)-1-bromo-3-(2-nitrovinyl)benzene;1-bromo-3-[(E)-2-nitroethenyl]benzene;m-Bromo-beta-nitrostyrene;1-bromo-3-[(E)-2-nitrovinyl]benzene;15795-14-9;1-bromo-3-(2-nitrovinyl)benzene;1-bromo-3-(2-nitroethenyl)benzene;Benzene, 1-bromo-3-[(1E)-2-nitroethenyl]-;SCHEMBL528279;CHEMBL445406;(E)-3-Bromo-beta-nitrostyrene;NWHBBZILZXZIBO-SNAWJCMRSA-N;BDBM512803;trans-3-Bromo- beta -nitrostyrene;acs.jmedchem.1c00409_ST.398;ANM100013;AKOS017269646;trans-3-Bromo-beta-nitrostyrene, 97%;AS-76313;Benzene, 1-bromo-3-[(E)-2-nitroethenyl]-;A809887;J-003315

Suppliers and Price of trans-3-Bromo-beta-nitrostyrene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
trans-3-Bromo-β-nitrostyrene
1g
$ 165.00

Sigma-Aldrich
trans-3-Bromo-β-nitrostyrene 97%
5g
$ 135.00

Crysdot
(E)-1-Bromo-3-(2-nitrovinyl)benzene 95+%
25g
$ 536.00

American Custom Chemicals Corporation
TRANS-3-BROMO-BETA-NITROSTYRENE 97.00%
5G
$ 878.27

Total 10 raw suppliers

Chemical Property of trans-3-Bromo-beta-nitrostyrene

Chemical Property:

Vapor Pressure:0.000686mmHg at 25°C
Melting Point:60-64 °C(lit.)
Refractive Index:1.636
Boiling Point:318.1°Cat760mmHg
Flash Point:146.2°C
PSA：45.82000
Density:1.596g/cm³
LogP:3.21970
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:226.95819
Heavy Atom Count:12
Complexity:188

Purity/Quality:

99%, ^*data from raw suppliers

trans-3-Bromo-β-nitrostyrene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22-43
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Br)C=C[N+](=O)[O-]
Isomeric SMILES:C1=CC(=CC(=C1)Br)/C=C/[N+](=O)[O-]
Uses trans-3-Bromo-β-nitrostyrene, is an intermediate in the synthesis of more complex pharmaceutical compounds with Anti-Cancer potency.

Technology Process of trans-3-Bromo-beta-nitrostyrene

There total 7 articles about trans-3-Bromo-beta-nitrostyrene 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: 84.0%

: 2039-86-3,25584-47-8
3-bromostyrene

: 15795-14-9,115665-95-7
(E)-1-bromo-3-(2-nitrovinyl)benzene

Guidance literature:: With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In 1,4-dioxane; at 80 ℃; for 1h; stereoselective reaction; Green chemistry;
DOI:10.1055/s-0034-1378513

Reference yield: 72.0%

: 3132-99-8
m-bromobenzoic aldehyde

: 75-52-5
nitromethane

: 15795-14-9,115665-95-7
(E)-1-bromo-3-(2-nitrovinyl)benzene

Guidance literature:: With ammonium acetate; acetic acid; at 90 ℃; for 5h;
DOI:10.1016/j.bmc.2016.01.053

Reference yield: 45.0%

: 15795-14-9,115665-95-7
(E)-1-bromo-3-(2-nitrovinyl)benzene

Guidance literature:: With tert.-butylhydroperoxide; ammonium iodide; meso-tetraphenylporphyrin iron(III) chloride; In acetonitrile; at 120 ℃; for 6h; Sealed tube;