2-Bromostyrene

Base Information

• Chemical Name: 2-Bromostyrene
• CAS No.: 2039-88-5
• Molecular Formula: C8H7Br
• Molecular Weight: 183.048
• Hs Code.: 29036990
• European Community (EC) Number: 603-094-7,218-027-3,939-567-2
• UNII: 9A96GP6Z5D
• DSSTox Substance ID: DTXSID8040777
• Nikkaji Number: J7.858A
• Wikidata: Q27272268
• ChEMBL ID: CHEMBL1890855
• Mol file: 2039-88-5.mol

Synonyms:2-Bromostyrene;2039-88-5;1-Bromo-2-vinylbenzene;1-bromo-2-ethenylbenzene;o-Bromostyrene;Benzene, 1-bromo-2-ethenyl-;125904-11-2;2-Bromo-styrene;Styrene, o-bromo-;MFCD00000076;UNII-9A96GP6Z5D;9A96GP6Z5D;EINECS 218-027-3;EC 603-094-7;Bromstyrol;o-Bromovinylbenzene;o -Bromovinylbenzene;1-bromo-2-vinyl benzene;1-Bromo-2-vinylbenzene #;SCHEMBL50072;2-VINYLPHENYL BROMIDE;1-bromanyl-2-ethenyl-benzene;CHEMBL1890855;DTXSID8040777;AMY40223;2-Bromostyrene (Stabilised with TBC);2-Bromostyrene (stabilized with TBC);AKOS005257810;CS-W017069;J7.858A;RS-1008;NCGC00164055-01;SY017137;B2355;FT-0602612;EN300-60999;F12180;A814531;W-206511;Q27272268;F2189-0075;2-Bromostyrene, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor, 97%

Chemical Property of 2-Bromostyrene

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Melting Point: 7 °C
• Refractive Index: n20/D 1.592(lit.)
• Boiling Point: 209.883 °C at 760 mmHg
• Flash Point: 83.932 °C
• PSA: 0.00000
• Density: 1.391 g/cm³
• LogP: 3.09210
• Storage Temp.: 2-8°C
• Solubility.: Miscible with methanol.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.97311
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

97% ^*data from raw suppliers

2-Bromostyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: C=CC1=CC=CC=C1Br
• Uses: 2-Bromostyrene is used as a cross linking agent in fire-resistant bromostyrene-crosslinked polyesters. 2-Bromostyrene is used as a cross linking agent in fire-resistant bromostyrene-crosslinked polyesters. Further, it is used to prepare trans-1-(2-bromophenyl)-2-(3-bromophenyl)ethene by reacting with 1-bromo-3-iodo-benzene, involving palladium(II) acetate as catalyst.

Technology Process of 2-Bromostyrene

There total 32 articles about 2-Bromostyrene 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: 100.0%

Methyltriphenylphosphonium bromide (1779-49-3) + ortho-bromobenzaldehyde (6630-33-7) → 2-bromostyrene (2039-88-5)

Guidance literature:

Methyltriphenylphosphonium bromide; With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 2h;

ortho-bromobenzaldehyde; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

DOI:10.1039/c7cc09264d

Reference yield: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + o-bromobenzyl alcohol (18982-54-2) → 2-bromostyrene (2039-88-5)

Guidance literature:

o-bromobenzyl alcohol; With triethylphosphine hydrobromide; at 100 ℃; for 0.166667h; Microwave irradiation;

formaldehyd; With potassium carbonate; In water; at 100 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1080/10426507.2014.980907

Reference yield: 89.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-Bromo-2-bromomethyl-benzene (3433-80-5) → 2-bromostyrene (2039-88-5)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; potassium carbonate; triphenylphosphine; In acetonitrile; at 20 ℃; for 4h; Inert atmosphere; Schlenk technique; Irradiation;

upstream raw materials:

2-bromocinnamic acid

potassium acetate

(1,2-dibromoethyl)benzene

silver(I) acetate

Downstream raw materials:

1-bromo-2-ethylbenzene

trans-1-(2-bromophenyl)-2-(3-bromophenyl)ethene

o-(formyl-D₁)styrene

1-(2-bromophenyl)ethanone oxime