1-Bromo-4-propylbenzene

Base Information

• Chemical Name: 1-Bromo-4-propylbenzene
• CAS No.: 588-93-2
• Molecular Formula: C9H11Br
• Molecular Weight: 199.09
• Hs Code.: 29036990
• European Community (EC) Number: 454-790-0,628-684-1
• NSC Number: 97222
• DSSTox Substance ID: DTXSID80207530
• Nikkaji Number: J94.989B
• Wikidata: Q72511616
• Mol file: 588-93-2.mol

Synonyms:1-Bromo-4-propylbenzene;588-93-2;4-bromo-n-propylbenzene;1-bromo-4-n-propylbenzene;1-(4'-bromophenyl)propane;4-BROMO PROPYLBENZENE;Benzene, 1-bromo-4-propyl-;MFCD00012456;4-propyl bromobenzene;1-bromo-4-propyl-benzene;NSC97222;4-propylbromobenzene;4-n-propylbromobenzene;4-Propylphenyl bromide;p-bromo-n-propylbenzene;1 -bromo-4-propylbenzene;1-n-propyl-4-bromobenzene;SCHEMBL415439;1-Bromo-4-propylbenzene, 99%;DTXSID80207530;NSC 97222;NSC-97222;AKOS000202591;CS-W010516;AS-13455;SY016468;A8308;B1889;FT-0617694;FT-0657553;EN300-65440;J-504455;Z299596168

Chemical Property of 1-Bromo-4-propylbenzene

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 4.7Pa at 25℃
• Melting Point: -41.4°C
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 224.3 °C at 760 mmHg
• Flash Point: 91 °C
• PSA: 0.00000
• Density: 1.284 g/cm³
• LogP: 3.40160
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: 2.867mg/L at 20℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 82.7

Purity/Quality:

99% ^*data from raw suppliers

1-Bromo-4-propylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)Br
• Uses: Intermediates of Liquid Crystals

Technology Process of 1-Bromo-4-propylbenzene

There total 16 articles about 1-Bromo-4-propylbenzene 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: 93.0%

1-allyl-4-bromo-benzene (2294-43-1) → p-bromo-n-propylbenzene (588-93-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol;

Reference yield: 90.5%

1.4-dibromobenzene (106-37-6) + propyl bromide (106-94-5) → p-bromo-n-propylbenzene (588-93-2)

Guidance literature:

With iron(III)-acetylacetonate; magnesium; zinc(II) chloride; In tetrahydrofuran; at 40 - 60 ℃; for 8h; Inert atmosphere;

Reference yield: 85.0%

1.4-dibromobenzene (106-37-6) + n-propylmagnesium bromide (927-77-5) → p-bromo-n-propylbenzene (588-93-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In diethyl ether; at 20 ℃; for 1h;

upstream raw materials:

4'-Bromopropiophenone

phenylpropane

1-allyl-4-bromo-benzene

1.4-dibromobenzene

Downstream raw materials:

4-n-propylbenzoic acid

2'-fluoro-4-n-pentyl-4'-n-propyl-p-terphenyl

3,5-difluoro-4'-propylbiphenyl

tris(p-n-propylphenyl)phosphine