1-(4-Bromobutoxy)-4-nitrobenzene

Base Information

• Chemical Name: 1-(4-Bromobutoxy)-4-nitrobenzene
• CAS No.: 55502-03-9
• Molecular Formula: C10H12 Br N O3
• Molecular Weight: 274.114
• Hs Code.: 29093038
• DSSTox Substance ID: DTXSID00366310
• Wikidata: Q82151455
• Mol file: 55502-03-9.mol

Synonyms:1-(4-bromobutoxy)-4-nitrobenzene;55502-03-9;4-Nitrophenoxybutyl bromide;SCHEMBL4937120;DTXSID00366310;DBRBCFJUEVSKGZ-UHFFFAOYSA-N;FT-0711455;SR-01000210375;SR-01000210375-1

Chemical Property of 1-(4-Bromobutoxy)-4-nitrobenzene

Chemical Property:

• Vapor Pressure: 8.65E-06mmHg at 25°C
• Melting Point: 37-40 °C
• Boiling Point: 165-170 °C (0.5 mmHg)
• Flash Point: 186.7°C
• Density: 1.458g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 273.00006
• Heavy Atom Count: 15
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-BROMOBUTOXY)-4-NITROBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCCCBr

Technology Process of 1-(4-Bromobutoxy)-4-nitrobenzene

There total 4 articles about 1-(4-Bromobutoxy)-4-nitrobenzene 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: 96.0%

1,4-dibromo-butane (110-52-1) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → 1-(4-bromobutoxy)-4-nitrobenzene (55502-03-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jm101087u

Reference yield:

1,4-dibromo-butane (110-52-1) + potassium 4-nitrophenolate (1124-31-8) → 1-(4-bromobutoxy)-4-nitrobenzene (55502-03-9)

Guidance literature:

With acetone;

Reference yield:

1,4-dibromo-butane (110-52-1) + 4-nitrophenol sodium salt (824-78-2) → 1-(4-bromobutoxy)-4-nitrobenzene (55502-03-9)

Guidance literature:

In ethanol; for 4h; Heating;

DOI:10.1124/mol.105.015669

upstream raw materials:

1,4-dibromo-butane

potassium 4-nitrophenolate

4-nitro-phenol

4-nitrophenol sodium salt

Downstream raw materials:

5-(4-nitrophenoxy)pentanenitrile

α-<4-(4-Nitro-phenoxy)-butyl>-α-benzoyl-essigsaeure-aethylester

Methyl-[4-(4-nitro-phenoxy)-butyl]-[2-(4-nitro-phenyl)-ethyl]-amine

C₅₈H₆₄N₂O₁₄