1-Bromo-4-(2-bromoethoxy)benzene

Base Information

• Chemical Name: 1-Bromo-4-(2-bromoethoxy)benzene
• CAS No.: 18800-30-1
• Molecular Formula: C8H8 Br2 O
• Molecular Weight: 279.959
• Hs Code.: 29093038
• European Community (EC) Number: 242-585-7
• NSC Number: 409402
• UNII: VAS7A26GDF
• DSSTox Substance ID: DTXSID10172141
• Nikkaji Number: J222.307D
• Wikidata: Q83042282
• Mol file: 18800-30-1.mol

Synonyms:1-Bromo-4-(2-bromoethoxy)benzene;18800-30-1;2-Bromoethyl p-bromophenyl ether;1-Bromo-4-(2-bromoethexy)benzene;Benzene, 1-bromo-4-(2-bromoethoxy)-;1-(2-BROMOETHOXY-4-BROMOBENZENE);2-Bromoethyl 4-bromophenyl ether;EINECS 242-585-7;NSC-409402;AI3-16501;4-Bromo-1-(2-bromoethoxy)benzene;beta,4-Dibromophenetole;O(CCBr)c1ccc(Br)cc1;VAS7A26GDF;4-Bromophenoxyethyl bromide;Phenetole, p,.beta.-dibromo-;2-(4-bromophenoxy)ethylbromide;SCHEMBL1697534;2-(p-bromophenoxy)ethyl bromide;2-(4-Bromophenoxy)ethyl bromide;DTXSID10172141;1-Bromo-2-(4-bromophenoxy)ethane;1-bromo-4-(2-bromoethoxyl)benzene;MFCD00044201;NSC409402;AKOS000122142;AB91714;AM86718;NSC 409402;BS-16369;CS-0137246;FT-0637750;EN300-01936;A880544;Z56887702

Chemical Property of 1-Bromo-4-(2-bromoethoxy)benzene

Chemical Property:

• Vapor Pressure: 3.93E-07mmHg at 25°C
• Melting Point: 56-57 °C
• Boiling Point: 163-165 °C (16 mmHg)
• Flash Point: 120°C
• PSA: 9.23000
• Density: 1.757g/cm³
• LogP: 3.22280
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 279.89214
• Heavy Atom Count: 11
• Complexity: 100

Purity/Quality:

98%min ^*data from raw suppliers

1-Bromo-4-(2-bromoethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCCBr)Br

Technology Process of 1-Bromo-4-(2-bromoethoxy)benzene

There total 4 articles about 1-Bromo-4-(2-bromoethoxy)benzene 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: 90.0%

4-bromo-phenol (106-41-2) + ethylene dibromide (106-93-4) → 1-bromo-4-(2-bromoethoxy)benzene (18800-30-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 6h;

DOI:10.1155/2017/6175315

Reference yield: 84.0%

phenoxyethyl bromide (589-10-6) → 1-bromo-4-(2-bromoethoxy)benzene (18800-30-1)

Guidance literature:

With γ-picolinium bromochromate; In acetonitrile; at 90 ℃; for 0.833333h; regioselective reaction;

Reference yield: 70.0%

2-(4-bromophenoxy)ethanol (34743-88-9) → 1-bromo-4-(2-bromoethoxy)benzene (18800-30-1)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

DOI:10.1039/b9nj00259f

upstream raw materials:

phenoxyethyl bromide

4-bromo-phenol

ethylene dibromide

2-(4-bromophenoxy)ethanol

Downstream raw materials:

1-[2-(4-bromo-phenoxy)-ethyl]-pyridinium; bromide

ethyl p-{[2-(p-bromophenoxy)ethyl]amino}benzoate

4-(2-(tert-butyloxycarbonylamino)ethoxy)phenyl bromide

{2-[(4-bromophenyl)oxy]ethyl}amine

Refernces

• 1、 Li, Tian-Tian,Wen, Lan-Lan,Ji, Hai-Long,Liu, Feng-Yu,Sun, Shi-Guo. "Bromination of N-phenyloxypropyl-N′-ethyl-4,4′-bipyridium in cucurbit[8]uril molecular reactor". . p. 463 - 466. Retrieved 2017.
• 2、 Awolade, Paul,Cele, Nosipho,Kerru, Nagaraju,Singh, Parvesh. "Synthesis, antimicrobial evaluation, and in silico studies of quinoline—1H-1,2,3-triazole molecular hybrids". . p. 2201 - 2218. Retrieved 2020/06/17.