Cas no 51207-98-8 (N-butyl-4-nitrobenzamide)
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
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
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 |
N-butyl-4-nitrobenzamide Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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.
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