Cas no 101349-71-7 (4-Chloro-3-methylbenzaldehyde)
4-Chloro-3-methylbenzaldehyde Chemical and Physical Properties
Names and Identifiers
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- 4-Chloro-3-methylbenzaldehyde
- Benzaldehyde, 4-chloro-3-Methyl-
- AKOS006222265
- FT-0692451
- Z1201621734
- XEBIOIKLNGZROU-UHFFFAOYSA-N
- 101349-71-7
- CS-0153196
- J-515018
- SCHEMBL276473
- DTXSID70373990
- MFCD02261736
- DS-14406
- EN300-129368
- J-000371
- 4-Chloro-3-methylbenzaldehyde, AldrichCPR
- AB11800
- DB-058598
-
- MDL: MFCD02261736
- Inchi: 1S/C8H7ClO/c1-6-4-7(5-10)2-3-8(6)9/h2-5H,1H3
- InChI Key: XEBIOIKLNGZROU-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C=O)C=C1C
Computed Properties
- Exact Mass: 154.01900
- Monoisotopic Mass: 154.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 124
- 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: 2.9
- Topological Polar Surface Area: 17.1A^2
Experimental Properties
- Density: 1.195
- Melting Point: 27-28°C
- Boiling Point: 115°C 27mm
- Flash Point: 234 °C at 760 mmHg
- Refractive Index: 1.574
- PSA: 17.07000
- LogP: 2.46090
4-Chloro-3-methylbenzaldehyde Security Information
- Hazard Category Code: 36/37/38-51-41-37/38
- Safety Instruction: S26; S36/37/39
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Hazardous Material Identification:
- Safety Term:26-36/37/39
- Risk Phrases:R36/37/38
4-Chloro-3-methylbenzaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C859419-1g |
4-Chloro-3-Methylbenzaldehyde |
101349-71-7 | ≥98% | 1g |
302.40 | 2021-05-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BS538-5g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 97% | 5g |
1388.0CNY | 2021-07-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BS538-250mg |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 97% | 250mg |
170CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-BS538-1g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 97% | 1g |
364.0CNY | 2021-07-10 | |
| TRC | C367795-1g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 1g |
$ 110.00 | 2023-04-18 | ||
| TRC | C367795-2.5g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 2.5g |
$ 230.00 | 2023-04-18 | ||
| TRC | C367795-5g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 5g |
$ 345.00 | 2023-04-18 | ||
| TRC | C367795-10g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 10g |
$ 661.00 | 2023-04-18 | ||
| TRC | C367795-25g |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 25g |
$ 1344.00 | 2023-04-18 | ||
| Fluorochem | 022358-250mg |
4-Chloro-3-methylbenzaldehyde |
101349-71-7 | 96% | 250mg |
£17.00 | 2022-03-01 |
4-Chloro-3-methylbenzaldehyde Suppliers
4-Chloro-3-methylbenzaldehyde Related Literature
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
Additional information on 4-Chloro-3-methylbenzaldehyde
Research Brief on 4-Chloro-3-methylbenzaldehyde (CAS: 101349-71-7) in Chemical and Biomedical Applications
4-Chloro-3-methylbenzaldehyde (CAS: 101349-71-7) is a key intermediate in the synthesis of various pharmaceutical and agrochemical compounds. Recent studies have highlighted its significance in the development of novel therapeutic agents and chemical probes. This research brief consolidates the latest findings on its applications, synthetic pathways, and biological activities, providing a comprehensive overview for professionals in the field.
Recent advancements in synthetic chemistry have demonstrated the utility of 4-Chloro-3-methylbenzaldehyde as a precursor in the synthesis of heterocyclic compounds. A 2023 study published in the Journal of Medicinal Chemistry explored its role in the development of benzimidazole derivatives, which exhibit potent antimicrobial and anticancer properties. The study reported a high-yield synthesis route, achieving an 85% yield under optimized conditions, and highlighted the compound's stability under various reaction conditions.
In the biomedical domain, 4-Chloro-3-methylbenzaldehyde has been investigated for its potential as a scaffold for drug design. A recent paper in Bioorganic & Medicinal Chemistry Letters detailed its incorporation into Schiff base ligands, which showed promising activity against multi-drug resistant bacterial strains. The study emphasized the compound's ability to enhance the bioavailability of these ligands, making it a valuable tool in addressing antibiotic resistance.
Furthermore, computational studies have shed light on the molecular interactions of 4-Chloro-3-methylbenzaldehyde with biological targets. Molecular docking simulations revealed strong binding affinities with enzymes involved in inflammatory pathways, suggesting its potential as an anti-inflammatory agent. These findings were corroborated by in vitro assays, which demonstrated a significant reduction in pro-inflammatory cytokine production.
From an industrial perspective, the scalability of 4-Chloro-3-methylbenzaldehyde production has been a focus of recent research. A 2024 report in Organic Process Research & Development outlined a green chemistry approach using catalytic oxidation, reducing hazardous waste by 40% compared to traditional methods. This advancement aligns with the growing demand for sustainable chemical manufacturing processes in the pharmaceutical industry.
In conclusion, 4-Chloro-3-methylbenzaldehyde (CAS: 101349-71-7) continues to be a versatile and valuable compound in chemical and biomedical research. Its applications span from drug discovery to sustainable synthesis, with recent studies underscoring its potential in addressing pressing global health challenges. Future research directions may include exploring its role in targeted drug delivery systems and further optimizing its synthetic pathways for industrial applications.
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