Cas no 80410-57-7 (3-Methoxy-4-nitrobenzaldehyde)
3-Methoxy-4-nitrobenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3-Methoxy-4-nitrobenzaldehyde
- Benzaldehyde,3-methoxy-4-nitro-
- 3-methoxy-4-nitro-benzaldehyde
- Benzaldehyde,3-methoxy-4-nitro
- WUTIWOZYHHSBBU-UHFFFAOYSA-N
- 2531AC
- NE48274
- 3-Methoxy-4-nitrobenzaldehyde (ACI)
- DS-13771
- DTXSID90467486
- SCHEMBL1159451
- O11030
- AKOS011395915
- A916088
- EN300-124541
- CS-0069818
- NICOTINOYLAZIDE
- MFCD08703367
- Z959304258
- 80410-57-7
-
- MDL: MFCD08703367
- Inchi: 1S/C8H7NO4/c1-13-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3
- InChI Key: WUTIWOZYHHSBBU-UHFFFAOYSA-N
- SMILES: O=CC1C=C(OC)C([N+](=O)[O-])=CC=1
Computed Properties
- Exact Mass: 181.03800
- Monoisotopic Mass: 181.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 1.4
- Topological Polar Surface Area: 72.1
Experimental Properties
- Density: 1.322
- Boiling Point: 334.8 ℃/760mmHg
- Flash Point: 171 °C
- PSA: 72.12000
- LogP: 1.93910
3-Methoxy-4-nitrobenzaldehyde Security Information
- Signal Word:Warning
- Hazard Statement: H302
- Warning Statement: P280-P305+P351+P338
- Storage Condition:Inert atmosphere,2-8°C
3-Methoxy-4-nitrobenzaldehyde Customs Data
- HS CODE:2913000090
- Customs Data:
China Customs Code:
2913000090Overview:
2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%
3-Methoxy-4-nitrobenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M893277-5g |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | ≥95% | 5g |
4,185.90 | 2021-05-17 | |
| TRC | M266588-25mg |
3-methoxy-4-nitrobenzaldehyde |
80410-57-7 | 25mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M266588-50mg |
3-methoxy-4-nitrobenzaldehyde |
80410-57-7 | 50mg |
$ 70.00 | 2022-06-04 | ||
| TRC | M266588-250mg |
3-methoxy-4-nitrobenzaldehyde |
80410-57-7 | 250mg |
$ 275.00 | 2022-06-04 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X39865-250mg |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | 95% | 250mg |
¥128.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X39865-1g |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | 95% | 1g |
¥303.0 | 2023-09-05 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X39865-5g |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | 95% | 5g |
¥1056.0 | 2023-09-05 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EG249-1g |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | 95+% | 1g |
1072.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EG249-50mg |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | 95+% | 50mg |
138.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EG249-5g |
3-Methoxy-4-nitrobenzaldehyde |
80410-57-7 | 95+% | 5g |
3490.0CNY | 2021-07-10 |
3-Methoxy-4-nitrobenzaldehyde Production Method
Production Method 1
Production Method 2
2.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ; 5 h, 0 °C
Production Method 3
Production Method 4
Production Method 5
Production Method 6
Production Method 7
Production Method 8
2.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ; 16 h, rt
3-Methoxy-4-nitrobenzaldehyde Raw materials
- 3-Hydroxy-4-nitrobenzaldehyde
- 3-Hydroxybenzaldehyde
- 3-Methoxy-4-nitrobenzoic acid
- 4-(Bromomethyl)-2-methoxy-1-nitrobenzene
- Benzoyl chloride, 3-methoxy-4-nitro-
- (3-methoxy-4-nitrophenyl)methanol
- 3-Methoxybenzaldehyde
3-Methoxy-4-nitrobenzaldehyde Preparation Products
3-Methoxy-4-nitrobenzaldehyde Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
Additional information on 3-Methoxy-4-nitrobenzaldehyde
Comprehensive Overview of 3-Methoxy-4-nitrobenzaldehyde (CAS No. 80410-57-7): Properties, Applications, and Industry Insights
3-Methoxy-4-nitrobenzaldehyde (CAS No. 80410-57-7) is a versatile organic compound widely used in pharmaceutical, agrochemical, and specialty chemical industries. This nitro-substituted benzaldehyde derivative features a methoxy group at the 3-position and a nitro group at the 4-position, imparting unique reactivity for heterocyclic synthesis and intermediate applications. Its molecular formula (C8H7NO4) and molar mass (181.15 g/mol) make it a critical building block for fine chemical manufacturing.
The compound's yellow crystalline powder form exhibits a melting point range of 98-102°C, with solubility in polar organic solvents like ethanol and dimethyl sulfoxide (DMSO). Researchers value its electron-withdrawing nitro group for facilitating nucleophilic aromatic substitution reactions, while the methoxy group enhances solubility and directs subsequent functionalization. Recent studies highlight its role in developing non-linear optical materials and pharmaceutical intermediates, aligning with growing interest in sustainable synthesis methods.
In pharmaceutical applications, 3-Methoxy-4-nitrobenzaldehyde serves as a precursor for antimicrobial agents and central nervous system (CNS) drugs. The compound's structural features enable the construction of benzimidazole derivatives with potential biological activity. Industry reports indicate rising demand for this intermediate in generic drug production, particularly for medications targeting metabolic disorders. Its use in catalyzed cross-coupling reactions has gained attention in green chemistry initiatives, addressing environmental concerns in chemical manufacturing.
The agrochemical sector utilizes 80410-57-7 for synthesizing herbicide intermediates and plant growth regulators. The nitro group's reactivity allows for efficient transformation into amino derivatives, which are crucial for developing crop protection agents. Recent patent literature reveals innovative applications in controlled-release formulations, responding to the agricultural industry's need for precision delivery systems. Analytical studies demonstrate the compound's stability under standard storage conditions (room temperature, protected from light), making it suitable for global supply chains.
From a technical perspective, 3-Methoxy-4-nitrobenzaldehyde exhibits characteristic FT-IR absorption bands at 1685 cm-1 (C=O stretch) and 1520 cm-1 (NO2 asymmetric stretch), with H-NMR signals at δ 10.4 ppm (aldehyde proton) and δ 7.5-8.1 ppm (aromatic protons). Quality control specifications typically require ≥98% purity by HPLC analysis, with strict limits on heavy metal content for pharmaceutical-grade material. Modern process optimization techniques have improved synthetic yields through microwave-assisted reactions and continuous flow chemistry approaches.
Market analysis shows increasing interest in 80410-57-7 from emerging economies developing their pharmaceutical API industries. Regulatory compliance remains crucial, with manufacturers providing REACH registration dossiers and GMP certification documentation. The compound's structure-activity relationship continues to inspire research into multi-target drug design, particularly in neurodegenerative disease research. Environmental fate studies confirm its biodegradability under aerobic conditions, supporting its use in eco-friendly chemical processes.
Recent scientific literature highlights novel applications of 3-Methoxy-4-nitrobenzaldehyde in material science, including its use as a monomer for conducting polymers and coordination complexes with transition metals. The compound's electron-deficient aromatic system makes it valuable for developing organic semiconductors and photovoltaic materials. These applications align with global trends toward renewable energy technologies and smart materials development.
Quality assurance protocols for CAS 80410-57-7 emphasize spectroscopic characterization (including UV-Vis and mass spectrometry) alongside traditional wet chemistry methods. The compound's structure-property relationships are frequently studied using computational chemistry tools, particularly density functional theory (DFT) calculations predicting its behavior in catalytic systems. These advanced analytical approaches support the compound's expanding role in high-value chemical production.
Supply chain professionals note stable availability of 3-Methoxy-4-nitrobenzaldehyde from major chemical producers, with technical and pharmaceutical grades meeting diverse industry requirements. Current research explores bio-catalytic production methods using engineered enzymes, reflecting the chemical industry's shift toward biotechnology solutions. The compound's regioselective reactivity continues to make it valuable for complex molecule assembly in both academic and industrial settings.
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