Cas no 7137-54-4 (1-Nitro-2-propylbenzene)

1-Nitro-2-propylbenzene is a nitro-substituted aromatic compound with the molecular formula C9H11NO2. It is commonly used as an intermediate in organic synthesis, particularly in the production of dyes, pharmaceuticals, and agrochemicals. The presence of both nitro and propyl functional groups enhances its reactivity, making it valuable for selective reduction and further functionalization reactions. Its stability under standard conditions ensures consistent handling and storage. The compound’s well-defined structure allows for precise control in synthetic applications, contributing to high-purity end products. Suitable for laboratory and industrial use, 1-Nitro-2-propylbenzene offers reliable performance in electrophilic substitution and other key transformations.
1-Nitro-2-propylbenzene structure
1-Nitro-2-propylbenzene structure
Product Name:1-Nitro-2-propylbenzene
CAS No:7137-54-4
MF:C9H11NO2
MW:165.189142465591
CID:575107
PubChem ID:24858000
Update Time:2025-05-22

1-Nitro-2-propylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-nitro-2-propyl-
    • 1-NITRO-2-PROPYLBENZENE
    • o-Nitropropylbenzene
    • o-Propylnitrobenzene
    • FT-0636361
    • DTXSID70221568
    • 7137-54-4
    • EN300-692992
    • NSC 97220
    • 2-NITROPROPYL BENZENE
    • SCHEMBL681694
    • UGAXDAGIKIVCQB-UHFFFAOYSA-N
    • CS-0265816
    • F0001-1834
    • AKOS015889090
    • 1-Nitro-2-propylbenzol
    • Benzene, 1-nitro-2-propyl-
    • AKOS017343296
    • NSC97220
    • NSC-97220
    • 1-Nitro-2-propylbenzene, 97%
    • InChI=1/C9H11NO2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,2,5H2,1H
    • DTXCID00144059
    • DB-055519
    • 1-nitro-2-propyl-benzene
    • 1-Nitro-2-propylbenzene
    • MDL: MFCD00010864
    • Inchi: 1S/C9H11NO2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,2,5H2,1H3
    • InChI Key: UGAXDAGIKIVCQB-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1CCC)=O

Computed Properties

  • Exact Mass: 165.07903
  • Monoisotopic Mass: 165.078978594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • Density: 1.082?g/mL?at 25?°C(lit.)
  • Boiling Point: 133-136?°C/26?mmHg(lit.)
  • Flash Point: Fahrenheit: 221 ° f
    Celsius: 105 ° c
  • Refractive Index: n20/D 1.527(lit.)
  • PSA: 43.14
  • LogP: 3.07050

1-Nitro-2-propylbenzene Security Information

1-Nitro-2-propylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
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1-Nitro-2-propylbenzene
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¥604.79 2022-02-24
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A2B Chem LLC
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A2B Chem LLC
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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Enamine
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Enamine
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Enamine
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1-Nitro-2-propylbenzene Related Literature

Additional information on 1-Nitro-2-propylbenzene

1-Nitro-2-propylbenzene: A Comprehensive Overview

1-Nitro-2-propylbenzene, also known by its CAS number 7137-54-4, is a versatile organic compound with significant applications in various industries. This compound, characterized by its nitro group attached to a benzene ring with a propyl substituent, has been the subject of extensive research due to its unique chemical properties and potential uses in pharmaceuticals, agrochemicals, and advanced materials.

The molecular formula of 1-nitro-2-propylbenzene is C9H11NO2, with a molecular weight of 165.19 g/mol. Its physical properties include a melting point of approximately 60°C and a boiling point around 300°C under standard conditions. These characteristics make it suitable for various chemical reactions and industrial processes where stability and reactivity are crucial.

Recent studies have highlighted the role of 1-nitro-2-propylbenzene in the synthesis of bioactive compounds. Researchers have explored its use as an intermediate in the development of new pharmaceutical agents, particularly in the field of oncology. The compound's ability to undergo nitration and substitution reactions has been leveraged to create derivatives with enhanced bioavailability and targeted therapeutic effects.

In the agricultural sector, 1-nitro-2-propylbenzene has shown promise as a precursor for agrochemicals that improve crop resilience against environmental stressors. Its application in creating pesticides with reduced environmental impact has been a focal point of recent agricultural research.

The synthesis of 1-nitro-2-propylbenzene typically involves nitration of substituted benzene derivatives using mixed acids, followed by purification through distillation or chromatography. This process ensures high purity levels essential for its use in sensitive applications such as drug discovery and material science.

From an environmental standpoint, understanding the degradation pathways of 1-nitro-2-propylbenzene is critical for minimizing ecological impact. Recent eco-toxicological studies have provided insights into its biodegradation rates under various conditions, aiding in the development of sustainable industrial practices.

In conclusion, 1-nitro-2-propylbenzene, CAS number 7137-54-4, stands as a pivotal compound in modern chemistry with diverse applications and ongoing research into its potential uses across multiple industries.

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