1-(4-Bromobutoxy)-3-nitrobenzene

Base Information

• Chemical Name: 1-(4-Bromobutoxy)-3-nitrobenzene
• CAS No.: 31191-44-3
• Molecular Formula: C10H12 Br N O3
• Molecular Weight: 274.114
• Hs Code.: 2909309090
• NSC Number: 212205
• DSSTox Substance ID: DTXSID10309516
• Wikidata: Q82057988
• Mol file: 31191-44-3.mol

Synonyms:1-(4-bromobutoxy)-3-nitrobenzene;31191-44-3;NSC212205;SCHEMBL1171960;DTXSID10309516;NSC 212205;NSC-212205

Chemical Property of 1-(4-Bromobutoxy)-3-nitrobenzene

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Melting Point: 62-63oC
• Boiling Point: 380.7°Cat760mmHg
• Flash Point: 184.1°C
• PSA: 55.05000
• Density: 1.458g/cm³
• LogP: 3.67190
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 273.00006
• Heavy Atom Count: 15
• Complexity: 196

Purity/Quality:

99% ^*data from raw suppliers

1-(4-BROMOBUTOXY)-3-NITROBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• 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)OCCCCBr)[N+](=O)[O-]

Technology Process of 1-(4-Bromobutoxy)-3-nitrobenzene

There total 2 articles about 1-(4-Bromobutoxy)-3-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: 93.0%

1,4-dibromo-butane (110-52-1) + meta-nitrophenol (554-84-7) → 1-(4-bromobutyloxy)-3-nitrobenzene (31191-44-3)

Guidance literature:

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

DOI:10.1021/jm101087u

Reference yield:

→ 1-(4-bromobutyloxy)-3-nitrobenzene (31191-44-3)

Guidance literature:

/BRN= 918455/, Br-(CH2)4-Br;

Reference yield: 79.3%

1-(4-bromobutyloxy)-3-nitrobenzene (31191-44-3) + 2,2'-iminobis[ethanol] (111-42-2) → 2-{(2-hydroxyethyl)-[4-(3-nitrophenoxy)butyl]amino}ethanol (858136-18-2)

Guidance literature:

In N,N-dimethyl-formamide; at 115 ℃; for 0.5h;

DOI:10.1016/j.bmc.2005.03.057

upstream raw materials:

1,4-dibromo-butane

meta-nitrophenol

Downstream raw materials:

4-[4-(3-Nitro-phenoxy)-butoxy]-benzenesulfonyl fluoride

2-{(2-hydroxyethyl)-[4-(3-nitrophenoxy)butyl]amino}ethanol

bis(2-chloroethyl)-[4-(3-nitrophenoxy)butyl]amine

C₁₁H₁₆N₂O₃

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