Benzene, 1-(hexyloxy)-4-nitro-

Base Information

• Chemical Name: Benzene, 1-(hexyloxy)-4-nitro-
• CAS No.: 15440-98-9
• Molecular Formula: C12H17 N O3
• Molecular Weight: 223.272
• Hs Code.: 2909309090
• European Community (EC) Number: 678-273-6
• DSSTox Substance ID: DTXSID2065888
• Nikkaji Number: J151.145I
• Wikidata: Q72482400
• Mol file: 15440-98-9.mol

Synonyms:15440-98-9;4-N-Hexyloxynitrobenzene;1-(Hexyloxy)-4-nitrobenzene;1-Hexyloxy-4-nitrobenzene;Benzene, 1-(hexyloxy)-4-nitro-;1-hexoxy-4-nitrobenzene;Hexyl p-nitrophenyl ether;Ether, hexyl p-nitrophenyl;p-Hexyloxy nitro benzene;4-Hexyloxynitrobenzene;p-Hexyloxy nitrobenzene;4-Nitrophenylhexyl ether;p-Nitrophenyl hexyl ether;Hexyl 4-Nitrophenyl Ether;1-Hexyloxy-4-nitro-benzene;SCHEMBL1963497;DTXSID2065888;MFCD00043610;AKOS027320900;AS-59122;CS-0320887;FT-0716396;N0373;D91691

Chemical Property of Benzene, 1-(hexyloxy)-4-nitro-

Chemical Property:

• Vapor Pressure: 0.000205mmHg at 25°C
• Melting Point: 25 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 337.4°Cat760mmHg
• Flash Point: 138.4°C
• PSA: 55.05000
• Density: 1.074g/cm³
• LogP: 4.07710
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

1-Hexyloxy-4-nitrobenzene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Benzene, 1-(hexyloxy)-4-nitro-

There total 14 articles about Benzene, 1-(hexyloxy)-4-nitro- 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: 98.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-Iodohexane (638-45-9) → 1-(hexyloxy)-4-nitrobenzene (15440-98-9)

Guidance literature:

With potassium carbonate; In acetonitrile; for 24h; Inert atmosphere; Reflux;

DOI:10.1039/c4cc03159h

Reference yield: 95.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-bromo-hexane (111-25-1) → 1-(hexyloxy)-4-nitrobenzene (15440-98-9)

Guidance literature:

DOI:10.1002/hlca.200800398

Reference yield: 78.0%

1-bromo-hexane (111-25-1) + 4-nitrophenol sodium salt (824-78-2) → 1-(hexyloxy)-4-nitrobenzene (15440-98-9)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; for 48h;

DOI:10.1021/jm010261z

upstream raw materials:

4-nitro-phenol

1-bromo-hexane

potassium 4-nitrophenolate

1-Chlorohexane

Downstream raw materials:

4,4'-bis(hexyloxy)azoxybenzene

C₂₄H₂₅N₃O₃

C₄₀H₃₇N₃O₄

C₂₆H₃₆N₂O₃S

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