1-Nitro-4-propylbenzene

Base Information

• Chemical Name: 1-Nitro-4-propylbenzene
• CAS No.: 10342-59-3
• Molecular Formula: C9H11 N O2
• Molecular Weight: 165.192
• Hs Code.: 2904209090
• European Community (EC) Number: 233-743-6
• DSSTox Substance ID: DTXSID40145828
• Nikkaji Number: J236.777G
• Wikidata: Q83010485
• Mol file: 10342-59-3.mol

Synonyms:1-Nitro-4-propylbenzene;10342-59-3;1-Nitro-4-n-propylbenzene;4-Nitro-n-propylbenzene;Benzene, 1-nitro-4-propyl-;EINECS 233-743-6;1-nitro-4-propyl-benzene;p-Nitropropylbenzene;p-Propylnitrobenzene;4-n-Propylnitrobenzene;1-Nitro-4-propylbenzol;SCHEMBL670267;DTXSID40145828;MFCD00051839;AKOS022794361;AS-58044;AM20020116;CS-0297257;FT-0608150;D85876;EN300-692994;A896467

Chemical Property of 1-Nitro-4-propylbenzene

Chemical Property:

• Vapor Pressure: 0.0176mmHg at 25°C
• Melting Point: -14°C
• Refractive Index: 1.5370
• Boiling Point: 96-100°C 2mm
• Flash Point: 113.3°C
• PSA: 45.82000
• Density: 1.096g/cm³
• LogP: 3.07050
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

1-NITRO-4-N-PROPYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of 1-Nitro-4-propylbenzene

There total 12 articles about 1-Nitro-4-propylbenzene 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: 15.0%

phenylpropane (103-65-1) → 1-nitro-2-propyl-benzene (7137-54-4) + 1-nitro-4-propyl-benzene (10342-59-3)

Guidance literature:

With sulfuric acid; nitric acid; In nitromethane; for 1.75h;

DOI:10.1021/jm00348a005

Reference yield:

phenylpropane (103-65-1) → 1-nitro-4-propyl-benzene (10342-59-3)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1016/S0022-5347(05)67828-7

Reference yield:

4-propylphenylboric acid (134150-01-9) → 1-nitro-4-propyl-benzene (10342-59-3)

Guidance literature:

With copper(II) nitrate trihydrate; trifluoroacetic acid; In ethyl acetate; at 100 ℃; for 3h;

DOI:10.2174/1570178615666180413122942

upstream raw materials:

phenylpropane

methyl nitrate

sulfuric acid

nitric acid

Downstream raw materials:

2-Propylhydroquinone

4-propylaniline

meso-3,4-bis-(4-amino-phenyl)-hexane

racem-3.4-bis-(4-amino-phenyl)-hexane