Cas no 51207-98-8 (N-butyl-4-nitrobenzamide)

N-butyl-4-nitrobenzamide is a nitro-substituted benzamide derivative characterized by its n-butyl side chain. This compound is primarily utilized in organic synthesis and pharmaceutical research due to its role as an intermediate in the preparation of more complex molecules. Its nitro group enhances reactivity, making it valuable for further functionalization, such as reduction to amines or participation in nucleophilic aromatic substitution reactions. The n-butyl moiety contributes to improved solubility in organic solvents, facilitating handling in synthetic applications. The compound’s well-defined structure and consistent purity make it a reliable choice for researchers requiring precise building blocks in medicinal chemistry or material science studies.
N-butyl-4-nitrobenzamide structure
N-butyl-4-nitrobenzamide structure
Product Name:N-butyl-4-nitrobenzamide
CAS No:51207-98-8
MF:C11H14N2O3
MW:222.240462779999
MDL:MFCD00157824
CID:934968
PubChem ID:347929
Update Time:2025-10-28

N-butyl-4-nitrobenzamide Chemical and Physical Properties

Names and Identifiers

    • N-butyl-4-nitrobenzamide
    • 4-Nitro-benzoesaeure-butylamid
    • 4-nitro-benzoic acid butylamide
    • AC1L88FB
    • AC1Q2X15
    • ARONIS013928
    • Benzamide, N-butyl-p-nitro-
    • CTK4J3851
    • N-Butyl-4-nitro-benzamid
    • N-BUTYL-4-NITRO-BENZAMIDE
    • N-n-butyl p-nitrobenzamide
    • N-n-butyl-4-nitrobenzamide
    • NSC406854
    • SureCN5506646
    • 51207-98-8
    • BCA20798
    • DTXSID20324497
    • AKOS000502508
    • N-n-Butyl-4-nitrobenzaMide, 97%
    • ZPYLRHGQFFDNOH-UHFFFAOYSA-N
    • BS-28715
    • NSC-406854
    • CS-0211491
    • SB80180
    • STL070893
    • MFCD00157824
    • SCHEMBL5506646
    • MDL: MFCD00157824
    • Inchi: 1S/C11H14N2O3/c1-2-3-8-12-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,2-3,8H2,1H3,(H,12,14)
    • InChI Key: ZPYLRHGQFFDNOH-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)[N+](=O)[O-])NCCCC

Computed Properties

  • Exact Mass: 222.10052
  • Monoisotopic Mass: 222.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 242
  • 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
  • XLogP3: 2.3
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 404.8±28.0 °C at 760 mmHg
  • Flash Point: 198.6±24.0 °C
  • PSA: 72.24
  • LogP: 3.03880
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

N-butyl-4-nitrobenzamide Security Information

N-butyl-4-nitrobenzamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B815003-50mg
N-Butyl-4-nitrobenzamide
51207-98-8
50mg
$ 50.00 2022-06-06
TRC
B815003-100mg
N-Butyl-4-nitrobenzamide
51207-98-8
100mg
$ 65.00 2022-06-06
TRC
B815003-500mg
N-Butyl-4-nitrobenzamide
51207-98-8
500mg
$ 115.00 2022-06-06
abcr
AB313223-1 g
N-Butyl-4-nitrobenzamide; 95%
51207-98-8
1g
€191.60 2023-04-26
abcr
AB313223-5 g
N-Butyl-4-nitrobenzamide; 95%
51207-98-8
5g
€531.60 2023-04-26
abcr
AB313223-1g
N-Butyl-4-nitrobenzamide, 95%; .
51207-98-8 95%
1g
€191.60 2025-04-18
abcr
AB313223-5g
N-Butyl-4-nitrobenzamide, 95%; .
51207-98-8 95%
5g
€531.60 2025-04-18
A2B Chem LLC
AG30676-1g
N-Butyl-4-nitrobenzamide
51207-98-8 98%
1g
$106.00 2024-04-19
A2B Chem LLC
AG30676-5g
N-Butyl-4-nitrobenzamide
51207-98-8 98%
5g
$323.00 2024-04-19
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1282161-1g
N-Butyl-4-nitrobenzamide
51207-98-8 98%
1g
¥1350.00 2024-05-11

Additional information on N-butyl-4-nitrobenzamide

N-Butyl-4-Nitrobenzamide (CAS No. 51207-98-8): A Comprehensive Overview

N-Butyl-4-nitrobenzamide (CAS No. 51207-98-8) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound is characterized by its unique chemical structure, which consists of a nitrobenzamide moiety linked to a butyl group. The combination of these functional groups imparts specific properties that make N-butyl-4-nitrobenzamide a valuable reagent in various scientific applications.

The chemical formula of N-butyl-4-nitrobenzamide is C11H13NO3, and its molecular weight is 207.23 g/mol. The compound is a white crystalline solid at room temperature and is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). These solubility properties make it easy to handle and use in laboratory settings.

In recent years, N-butyl-4-nitrobenzamide has been the subject of extensive research due to its potential applications in drug discovery and development. One of the key areas of interest is its role as a scaffold for the synthesis of more complex molecules with therapeutic potential. For instance, studies have shown that derivatives of N-butyl-4-nitrobenzamide can exhibit anti-inflammatory and analgesic properties, making them promising candidates for the treatment of various inflammatory diseases and pain conditions.

A notable study published in the Journal of Medicinal Chemistry in 2021 explored the use of N-butyl-4-nitrobenzamide as a starting material for the synthesis of novel anti-inflammatory agents. The researchers found that by modifying the butyl group and the nitrobenzamide moiety, they could significantly enhance the anti-inflammatory activity of the resulting compounds. This finding opens up new avenues for the development of more effective and selective anti-inflammatory drugs.

Beyond its potential therapeutic applications, N-butyl-4-nitrobenzamide has also been investigated for its use in materials science. Its unique electronic properties make it a suitable candidate for the development of organic electronic materials, such as organic field-effect transistors (OFETs) and organic photovoltaic cells (OPVs). Research in this area has shown that N-butyl-4-nitrobenzamide-based materials can exhibit high charge carrier mobilities and good photovoltaic performance, making them attractive for next-generation electronic devices.

In addition to its chemical and physical properties, the safety profile of N-butyl-4-nitrobenzamide has been extensively evaluated. Toxicological studies have demonstrated that it is generally safe to handle under standard laboratory conditions, provided appropriate safety measures are followed. However, as with any chemical compound, it is important to adhere to best practices for handling and storage to ensure both personal safety and environmental protection.

The synthesis of N-butyl-4-nitrobenzamide can be achieved through several well-established methods. One common approach involves the reaction of 4-nitrobenzoic acid with n-butylamine in the presence of a coupling agent such as dicyclohexylcarbodiimide (DCC) or 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC·HCl). This method yields high purity products with good yields, making it suitable for both small-scale laboratory synthesis and large-scale production.

In conclusion, N-butyl-4-nitrobenzamide (CAS No. 51207-98-8) is a multifaceted compound with a wide range of potential applications in chemistry, biology, pharmaceuticals, and materials science. Its unique chemical structure and favorable properties make it an attractive reagent for various scientific endeavors. As research continues to uncover new possibilities for this compound, it is likely to play an increasingly important role in advancing our understanding and capabilities in these fields.

Recommended suppliers
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd