Cas no 3400-29-1 (N-methyl-2-nitrobenzamide)
N-methyl-2-nitrobenzamide Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-methyl-2-nitro-
- N-methyl-2-nitroBenzamide
- 2-Nitro-benzoesaeure-methylamid
- 2-nitro-benzoic acid methylamide
- 2-nitro-N-methylbenzamide
- Benzamide,N-methyl-2-nitro
- N-methyl(2-nitrophenyl)carboxamide
- N-methyl-2-nitro-benzamide
- N-methyl-o-nitrobenzamide
- FT-0711208
- Oprea1_479786
- AKOS003246124
- 3400-29-1
- MFCD01211886
- SCHEMBL417378
- DTXSID70409329
- N-methyl-2-nitrobenzamide
-
- MDL: MFCD01211886
- Inchi: 1S/C8H8N2O3/c1-9-8(11)6-4-2-3-5-7(6)10(12)13/h2-5H,1H3,(H,9,11)
- InChI Key: VHOZXKCOAPJVFY-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1[N+](=O)[O-])NC
Computed Properties
- Exact Mass: 180.05300
- Monoisotopic Mass: 180.05349212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 212
- 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: 0.2
- Topological Polar Surface Area: 74.9?2
Experimental Properties
- PSA: 74.92000
- LogP: 1.86850
N-methyl-2-nitrobenzamide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
N-methyl-2-nitrobenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M105513-10mg |
N-methyl-2-nitrobenzamide |
3400-29-1 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M105513-50mg |
N-methyl-2-nitrobenzamide |
3400-29-1 | 50mg |
$ 95.00 | 2022-06-04 | ||
| TRC | M105513-100mg |
N-methyl-2-nitrobenzamide |
3400-29-1 | 100mg |
$ 135.00 | 2022-06-04 | ||
| OTAVAchemicals | 7112890190-50MG |
N-methyl-2-nitrobenzamide |
3400-29-1 | 95% | 50MG |
$58 | 2023-07-06 | |
| OTAVAchemicals | 7112890190-100MG |
N-methyl-2-nitrobenzamide |
3400-29-1 | 95% | 100MG |
$104 | 2023-07-06 | |
| OTAVAchemicals | 7112890190-250MG |
N-methyl-2-nitrobenzamide |
3400-29-1 | 95% | 250MG |
$173 | 2023-07-06 |
N-methyl-2-nitrobenzamide Related Literature
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H. N. E. Stevens,M. F. G. Stevens J. Chem. Soc. C 1970 2289
-
H. N. E. Stevens,M. F. G. Stevens J. Chem. Soc. C 1970 2308
Additional information on N-methyl-2-nitrobenzamide
Comprehensive Overview of N-methyl-2-nitrobenzamide (CAS No. 3400-29-1): Properties, Applications, and Industry Insights
N-methyl-2-nitrobenzamide (CAS No. 3400-29-1) is a specialized organic compound widely recognized for its unique chemical properties and versatile applications in research and industrial sectors. This nitro-substituted benzamide derivative has garnered significant attention due to its role as a key intermediate in synthetic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and advanced materials. The compound's molecular structure, characterized by a nitro group at the ortho position and an N-methyl amide functional group, contributes to its reactivity and utility in multi-step synthesis processes.
In recent years, the demand for N-methyl-2-nitrobenzamide has increased in parallel with growing interest in nitroaromatic compounds for drug discovery and material science. Researchers frequently search for "synthesis methods for N-methyl-2-nitrobenzamide" or "CAS 3400-29-1 solubility data," reflecting the compound's technical relevance. Its moderate polarity and crystalline solid form at room temperature make it suitable for various purification techniques, including recrystallization from organic solvents like ethanol or ethyl acetate.
The compound's mechanism of action as a building block in heterocyclic chemistry is another area of focus. Many studies explore its use in creating quinazoline or benzimidazole derivatives, which are prominent scaffolds in medicinal chemistry. Environmental scientists also investigate "biodegradation pathways of nitrobenzamides" as part of green chemistry initiatives, aligning with global sustainability trends. The electron-withdrawing nitro group in N-methyl-2-nitrobenzamide facilitates nucleophilic substitution reactions, enabling diverse molecular transformations.
From an industrial perspective, CAS 3400-29-1 is often discussed in contexts such as "scale-up production challenges" and "process optimization for nitrobenzamide derivatives." Manufacturers emphasize strict quality control measures, given the compound's role in high-value applications. Analytical techniques like HPLC purity analysis and spectroscopic characterization (FTIR, NMR) are routinely employed to verify batch consistency. The compound typically appears as a light yellow powder with a melting point range of 145-148°C, properties frequently verified by quality assurance protocols.
Emerging applications of N-methyl-2-nitrobenzamide include its exploration in organic electronic materials and as a precursor for photoactive compounds. These developments respond to market demands for advanced functional materials in optoelectronics and renewable energy sectors. Safety data sheets highlight standard laboratory handling precautions, with particular attention to avoiding dust formation and ensuring adequate ventilation during use—common considerations for fine chemical powders.
Regulatory compliance remains a key discussion point, with suppliers providing documentation meeting REACH and other international chemical inventory requirements. The compound's stable shelf life under recommended storage conditions (typically room temperature in tightly sealed containers) makes it a practical choice for research institutions and production facilities alike. Recent patent literature reveals innovative applications, such as its incorporation into catalytic systems or as a template for molecularly imprinted polymers.
Academic interest continues to grow, evidenced by increasing citations of 3400-29-1 in peer-reviewed journals focusing on organic synthesis methodologies. The compound's balanced lipophilicity (LogP ~1.2) and hydrogen bonding capacity make it particularly valuable in structure-activity relationship studies. Computational chemists frequently model its molecular electrostatic potential to predict reactivity patterns, demonstrating the intersection of experimental and theoretical approaches in modern chemical research.
Supply chain dynamics for N-methyl-2-nitrobenzamide reflect broader trends in specialty chemicals, with emphasis on reliable sourcing and technical support. Suppliers increasingly provide customized packaging options and analytical certificates to meet diverse user requirements. The compound's pricing structure typically depends on purity grades (98%, 99%) and order volumes, with research-scale quantities being more readily available than bulk industrial quantities.
Future research directions may explore N-methyl-2-nitrobenzamide's potential in bioconjugation chemistry or as a ligand precursor in coordination compounds. The continued evolution of green synthetic protocols for nitroaromatic compounds will likely influence production methods for this material. As analytical technologies advance, more detailed studies of its solid-state properties and polymorphic forms may emerge, further expanding its utility across scientific disciplines.
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