1-Bromo-4-ethylbenzene

Base Information

• Chemical Name: 1-Bromo-4-ethylbenzene
• CAS No.: 1585-07-5
• Molecular Formula: C8H9Br
• Molecular Weight: 185.063
• Hs Code.: 29036990
• European Community (EC) Number: 216-439-8
• NSC Number: 60144
• UNII: 42LI8TAT6J
• DSSTox Substance ID: DTXSID0029218
• Nikkaji Number: J44.127I
• Wikidata: Q27258551
• ChEMBL ID: CHEMBL3188177
• Mol file: 1585-07-5.mol

Synonyms:1-BROMO-4-ETHYLBENZENE;1585-07-5;p-Bromoethylbenzene;Benzene, 1-bromo-4-ethyl-;4-Ethylbromobenzene;p-Ethylbromobenzene;1-Bromo-4-EthYl-Benzene;4-ethyl-1-bromobenzene;UNII-42LI8TAT6J;4-BROMO-ETHYLBENZENE;42LI8TAT6J;DTXSID0029218;EINECS 216-439-8;NSC 60144;NSC-60144;4-bromo-1-ethylbenzene;NSC60144;4-ethyl bromobenzene;MFCD00000111;p-Ethyl bromo benzene;1-Bromo-4-ethyl benzene;P-ETHYLPHENYL BROMIDE;4-ETHYLPHENYL BROMIDE;SCHEMBL149101;DTXCID809218;1-Bromo-4-ethylbenzene, 97%;1-Bromo-4-ethylbenzene, 99%;CHEMBL3188177;Tox21_200031;AKOS000202637;CS-W016965;NCGC00248500-01;NCGC00257585-01;AC-14647;DS-14398;CAS-1585-07-5;AM20050263;B1879;FT-0607501;EN300-20008;W-107995;Q27258551

Chemical Property of 1-Bromo-4-ethylbenzene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.405mmHg at 25°C
• Melting Point: -43 °C
• Refractive Index: n20/D 1.544(lit.)
• Boiling Point: 204.6 °C at 760 mmHg
• Flash Point: 71.2 °C
• PSA: 0.00000
• Density: 1.336 g/cm³
• LogP: 3.01150
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform, Ethyl Acetate, Methanol
• Water Solubility.: Insoluble in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 183.98876
• Heavy Atom Count: 9
• Complexity: 72.6

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)Br
• Uses: 1-Bromo-4-ethylbenzene is organo bromide with flame retardant properties. 1-Bromo-4-ethylbenzene is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. Intermediates of Liquid Crystals

Technology Process of 1-Bromo-4-ethylbenzene

There total 42 articles about 1-Bromo-4-ethylbenzene 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%

1-bromo-4-ethenyl-benzene (2039-82-9) → 1-bromo-4-ethylbenzene (1585-07-5)

Guidance literature:

With C₅₀H₅₇IrN₂P; hydrogen; In dichloromethane; at -78 - 20 ℃;

DOI:10.1039/c1cc14367k

Reference yield: 99.0%

1-bromo-4-ethenyl-benzene (2039-82-9) + 2-(4-(tert-butyl)phenyl)benzo[d][1,3,2]dioxaborole (241147-96-6) → para-tert-butylphenol (98-54-4) + 1-bromo-4-ethylbenzene (1585-07-5)

Guidance literature:

With oxygen; hydrazine hydrate; In acetonitrile; at 32 ℃; for 3h; under 760.051 Torr; Schlenk technique;

DOI:10.1002/ejoc.201501222

Reference yield: 97.0%

4-bromo-1-ethynylbenzene (766-96-1) → 1-bromo-4-ethenyl-benzene (2039-82-9) + 1-bromo-4-ethylbenzene (1585-07-5)

Guidance literature:

With hydrogen; In hexane; at 40 ℃; for 6h; under 760.051 Torr;

DOI:10.1002/anie.201207845

upstream raw materials:

ethyl bromide

bromobenzene

diethyl sulfate

(4-bromophenyl)magnesium bromide

Downstream raw materials:

(4-ethylphenyl)trimethylsilane

Dichlor-methyl-<4-ethyl-phenyl>-silan

1-(3,7-Dimethyl-oct-6-enyl)-4-ethyl-benzene

1-((E)-3,7-Dimethyl-octa-2,6-dienyl)-4-ethyl-benzene

Refernces

• 1、 Sharma, Anuj S.,Kaur, Harjinder. "Microwave assisted hydrogenation of olefins by Pd NPs@polystyrene resin using a gas addition kit: A robust and sustainable protocol". . p. 18935 - 18941. Retrieved 2018.
• 2、 Nagarjun, Nagarathinam,Arthy, Kannan,Dhakshinamoorthy, Amarajothi. "Copper(II)-Doped ZIF-8 as a Reusable and Size Selective Heterogeneous Catalyst for the Hydrogenation of Alkenes using Hydrazine Hydrate". . p. 2108 - 2119. Retrieved 2021/06/01.
• 3、 -. "Hydrogenation reaction method". Paragraph 0034; 0149-0152. . Retrieved 2020/05/14.