Cas no 18515-67-8 (3-Methyl-4-nitrobenzaldehyde)
3-Methyl-4-nitrobenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-4-nitrobenzaldehyde
- 3-Methyl-4-nitrobenzaldehyd
- 3-methyl-4-nitro-benzaldehyde
- 4-Formyl-2-methylnitrobenzene
- 4-Nitro-m-toluylaldehyd
- 5-Formyl-2-nitrotoluene
- Benzaldehyde,3-methyl-4-nitro
- Benzaldehyde, 3-methyl-4-nitro-
- 5-Formyl-2-nitrotoluene, 4-Formyl-2-methylnitrobenzene
- Benzaldehyde, 3-ethyl-4-itro-
- PubChem17018
- Benzaldehyde,3-methyl-4-nitro-
- WHJDQIWWIJARMK-UHFFFAOYSA-N
- BCP20271
- CL8333
- AM84049
- RP02405
- BC219820
- A
- FT-0600369
- W-206332
- CS-W019266
- A4105
- SY064839
- SCHEMBL1826371
- 18515-67-8
- EN300-128560
- AKOS015842350
- MFCD08445621
- AC-4211
- Z1255420040
- PS-4728
- DTXSID80458267
- DS-0465
- 3-Methyl-4-nitrobenzaldehyde 98%
- DB-006490
-
- MDL: MFCD08445621
- Inchi: 1S/C8H7NO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5H,1H3
- InChI Key: WHJDQIWWIJARMK-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=CC(C=O)=CC=1C)=O
Computed Properties
- Exact Mass: 165.04300
- Monoisotopic Mass: 165.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 187
- 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: 62.9
Experimental Properties
- Density: 1.278
- Boiling Point: 304.4°Cat760mmHg
- Flash Point: 151.2°C
- Refractive Index: 1.602
- PSA: 62.89000
- LogP: 2.23890
3-Methyl-4-nitrobenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM100465-5g |
3-methyl-4-nitrobenzaldehyde |
18515-67-8 | 95+% | 5g |
$173 | 2021-06-17 | |
| Chemenu | CM100465-10g |
3-methyl-4-nitrobenzaldehyde |
18515-67-8 | 95+% | 10g |
$271 | 2021-06-17 | |
| Chemenu | CM100465-25g |
3-methyl-4-nitrobenzaldehyde |
18515-67-8 | 95+% | 25g |
$501 | 2021-06-17 | |
| Alichem | A010004192-250mg |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 97% | 250mg |
$489.60 | 2023-09-02 | |
| Alichem | A010004192-500mg |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 97% | 500mg |
$855.75 | 2023-09-02 | |
| Alichem | A010004192-1g |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 97% | 1g |
$1564.50 | 2023-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-YI139-200mg |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 97% | 200mg |
116.0CNY | 2021-07-12 | |
| TRC | M341375-50mg |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 50mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M341375-100mg |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 100mg |
$ 65.00 | 2022-06-03 | ||
| TRC | M341375-500mg |
3-Methyl-4-nitrobenzaldehyde |
18515-67-8 | 500mg |
$ 115.00 | 2022-06-03 |
3-Methyl-4-nitrobenzaldehyde Related Literature
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1. The influence of the nitro-group upon side-chain reactivity. Part V. The rate-determining α-proton extraction from 4-nitrobenzyl chloride and 3-methyl-4-nitrobenzyl chloride in their base-catalysed interaction with their corresponding aldehydes to form epoxidesD. M. Doleib,Y. Iskander J. Chem. Soc. B 1967 1159
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2. The influence of the nitro-group upon side-chain reactivity. Part IV. The inhibition of α-proton extraction from 4-nitrobenzyl chloride by the steric effect of methyl groups in the 3- and 5-positionsD. M. Doleib,Y. Iskander J. Chem. Soc. B 1967 1154
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3. Reactivity of triplet-state nitrophenylcarbenes towards cis-buteneSwee Hock Goh,Hooi Long Gian J. Chem. Soc. Perkin Trans. 1 1979 1625
Additional information on 3-Methyl-4-nitrobenzaldehyde
3-Methyl-4-nitrobenzaldehyde (CAS No. 18515-67-8): Properties, Applications, and Market Insights
3-Methyl-4-nitrobenzaldehyde (CAS No. 18515-67-8) is a versatile nitroaromatic compound widely used in organic synthesis, pharmaceuticals, and specialty chemicals. This yellow crystalline solid belongs to the benzaldehyde derivatives family, featuring both a methyl group and a nitro group on its aromatic ring. With a molecular formula of C8H7NO3, it has become increasingly important in research and industrial applications due to its unique electronic properties and reactivity.
The compound's chemical structure makes it particularly valuable as an intermediate in the synthesis of more complex molecules. Researchers frequently utilize 3-methyl-4-nitrobenzaldehyde synthesis methods to create various heterocyclic compounds, dyes, and pharmaceutical precursors. Its nitro group provides excellent reactivity for reduction reactions, while the aldehyde functionality serves as a crucial site for condensation and nucleophilic addition reactions.
In pharmaceutical applications, 3-methyl-4-nitrobenzaldehyde CAS 18515-67-8 serves as a building block for drug discovery. Recent studies highlight its potential in developing novel antimicrobial agents and anti-inflammatory compounds, addressing current healthcare challenges like antibiotic resistance. The compound's structural features allow medicinal chemists to modify its framework for targeted biological activity, making it valuable in structure-activity relationship studies.
The material science field has shown growing interest in 3-methyl-4-nitrobenzaldehyde properties for developing advanced functional materials. Its electron-withdrawing nitro group contributes to interesting photophysical properties, potentially useful in organic electronics and sensor technologies. Researchers are exploring its incorporation into conjugated systems for applications in OLED materials and molecular switches.
From an industrial perspective, the 3-methyl-4-nitrobenzaldehyde market has seen steady growth, particularly in regions with strong pharmaceutical and specialty chemical sectors. Manufacturers focus on developing efficient synthesis routes to meet the increasing demand while maintaining high purity standards. The compound typically appears as a yellow powder with a melting point range of 80-83°C, and its solubility characteristics make it compatible with various organic solvents.
Quality control for 3-methyl-4-nitrobenzaldehyde 18515-67-8 involves rigorous analytical techniques including HPLC analysis, melting point determination, and spectroscopic characterization. Suppliers emphasize batch-to-batch consistency, especially for research-grade material where purity exceeding 98% is often required. Proper storage conditions typically involve protection from light and moisture to maintain stability.
Environmental and safety considerations for handling 3-methyl-4-nitrobenzaldehyde follow standard laboratory protocols. While not classified as highly hazardous, appropriate personal protective equipment is recommended during handling. The compound's biodegradability and ecotoxicity profile have been subjects of recent environmental chemistry studies, particularly regarding its potential transformation products.
Recent scientific literature highlights innovative applications of 3-methyl-4-nitrobenzaldehyde CAS No. 18515-67-8 in asymmetric synthesis and catalysis. Its use as a chiral auxiliary or building block in stereoselective reactions has gained attention in academic research. Additionally, materials scientists are investigating its incorporation into metal-organic frameworks (MOFs) for gas storage and separation technologies.
The global supply chain for 3-methyl-4-nitrobenzaldehyde includes specialized chemical manufacturers and distributors catering to research institutions and industrial users. Pricing trends reflect the compound's niche application status, with fluctuations tied to raw material availability and regional demand. Current market analysis suggests growing interest from the agrochemical sector for developing novel crop protection agents.
Future research directions for 3-methyl-4-nitrobenzaldehyde may explore its potential in green chemistry applications, particularly in developing more sustainable synthesis methods. The compound's versatility ensures its continued relevance across multiple scientific disciplines, from medicinal chemistry to materials science. As analytical techniques advance, researchers gain deeper insights into its molecular interactions and reactivity patterns.
For laboratories working with 3-methyl-4-nitrobenzaldehyde 18515-67-8, proper documentation of its physical-chemical properties and handling procedures remains essential. The scientific community continues to discover new applications for this compound, reinforcing its importance as a valuable chemical intermediate in both academic and industrial settings.
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