Cas no 5088-91-5 (Methyl 6-Cyanonaphthalene-2-carboxylate)
Methyl 6-Cyanonaphthalene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboxylic acid, 6-cyano-, methyl ester
- methyl 6-cyanonaphthalene-2-carboxylate
- METHYL-6-CYANO NAPHTHALENE-2-CARBOXYLATE
- 6-Cyano-2-naphthalenecarboxylic acid,methyl ester
- 6-Cyano-2-naphthalincarbonsaeuremethylester
- 6-cyano-naphthalene-2-carboxylic acid methyl ester
- AB3945
- methyl 6-cyano-2-naphthoate
- 6-Cyano-2-naphthalenecarboxylic acid, methyl ester
- AKOS022650402
- methyl6-cyano-2-naphthoate
- 5088-91-5
- CS-0323024
- YACGNGQPYPCGOL-UHFFFAOYSA-N
- A1-30091
- AS-44740
- MFCD08689891
- DTXSID50498074
- SCHEMBL5566033
- DB-417626
- Methyl 6-Cyanonaphthalene-2-carboxylate
-
- MDL: MFCD08689891
- Inchi: 1S/C13H9NO2/c1-16-13(15)12-5-4-10-6-9(8-14)2-3-11(10)7-12/h2-7H,1H3
- InChI Key: YACGNGQPYPCGOL-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC=C2C=C(C#N)C=CC2=C1)=O
Computed Properties
- Exact Mass: 211.06300
- Monoisotopic Mass: 211.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 317
- 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: 2.7
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 379.4±15.0 °C at 760 mmHg
- Flash Point: 183.5±7.1 °C
- PSA: 50.09000
- LogP: 2.49808
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
Methyl 6-Cyanonaphthalene-2-carboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- 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)
Methyl 6-Cyanonaphthalene-2-carboxylate Customs Data
- HS CODE:2926909090
- Customs Data:
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Methyl 6-Cyanonaphthalene-2-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM242826-1g |
Methyl 6-cyano-2-naphthoate |
5088-91-5 | 95% | 1g |
$597 | 2021-08-04 | |
| Chemenu | CM242826-5g |
Methyl 6-cyano-2-naphthoate |
5088-91-5 | 95% | 5g |
$1789 | 2021-08-04 | |
| TRC | M224465-10mg |
Methyl 6-Cyanonaphthalene-2-carboxylate |
5088-91-5 | 10mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M224465-50mg |
Methyl 6-Cyanonaphthalene-2-carboxylate |
5088-91-5 | 50mg |
$ 210.00 | 2022-06-04 | ||
| TRC | M224465-100mg |
Methyl 6-Cyanonaphthalene-2-carboxylate |
5088-91-5 | 100mg |
$ 320.00 | 2022-06-04 | ||
| Chemenu | CM242826-1g |
Methyl 6-cyano-2-naphthoate |
5088-91-5 | 95% | 1g |
$1379 | 2024-07-16 | |
| Chemenu | CM242826-5g |
Methyl 6-cyano-2-naphthoate |
5088-91-5 | 95% | 5g |
$4127 | 2024-07-16 | |
| abcr | AB449300-250 mg |
Methyl 6-cyanonaphthalene-2-carboxylate |
5088-91-5 | 250mg |
€457.90 | 2023-04-22 | ||
| abcr | AB449300-1 g |
Methyl 6-cyanonaphthalene-2-carboxylate |
5088-91-5 | 1g |
€1,063.80 | 2023-04-22 | ||
| eNovation Chemicals LLC | Y1246598-250mg |
METHYL-6-CYANO NAPHTHALENE-2-CARBOXYLATE |
5088-91-5 | 95% | 250mg |
$400 | 2024-06-06 |
Methyl 6-Cyanonaphthalene-2-carboxylate Related Literature
-
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
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
Additional information on Methyl 6-Cyanonaphthalene-2-carboxylate
Comprehensive Overview of Methyl 6-Cyanonaphthalene-2-carboxylate (CAS No. 5088-91-5)
Methyl 6-Cyanonaphthalene-2-carboxylate (CAS No. 5088-91-5) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring a cyano group and ester functionality, makes it a versatile building block for heterocyclic chemistry. Recent trends in green chemistry and sustainable synthesis have amplified interest in this compound, as researchers explore its potential in catalytic reactions and low-waste production methods.
The compound’s naphthalene backbone contributes to its stability and reactivity, enabling applications in OLED materials and fluorescent probes. A surge in searches for "high-efficiency organic semiconductors" and "bioimaging agents" aligns with its properties, as studies highlight its electron-withdrawing capabilities. Analytical techniques like HPLC and NMR spectroscopy are critical for purity verification, ensuring compliance with industry standards for pharmaceutical-grade intermediates.
In the context of drug discovery, Methyl 6-Cyanonaphthalene-2-carboxylate serves as a precursor for kinase inhibitors and anti-inflammatory agents. Queries such as "small molecule APIs" and "scaffold diversification" reflect its relevance in medicinal chemistry. The compound’s solubility in polar solvents (e.g., DMSO, methanol) facilitates its use in combinatorial libraries, addressing the demand for "fragment-based drug design" solutions.
From an industrial perspective, optimizing large-scale synthesis of CAS 5088-91-5 remains a focus, with patents emphasizing cost-effective routes via Pd-catalyzed cyanation. Environmental concerns drive innovations in "solvent-free reactions" and "microwave-assisted synthesis," where this compound’s thermal stability proves advantageous. Regulatory guidelines for REACH compliance and ICH Q3D elemental impurities further underscore its safe handling protocols.
Emerging applications in photocatalysis and metal-organic frameworks (MOFs) have expanded its utility beyond traditional domains. Researchers investigating "energy storage materials" or "CO2 capture technologies" may find its structural motifs valuable. The compound’s crystallographic data (CCDC-deposited) aids in computational modeling, supporting virtual screening campaigns for targeted therapeutics.
To conclude, Methyl 6-Cyanonaphthalene-2-carboxylate (CAS 5088-91-5) bridges multiple scientific frontiers, from precision medicine to renewable energy. Its adaptability to modern synthetic challenges ensures sustained interest, while SEO analytics reveal growing queries around "multifunctional aromatic esters" and "naphthalene derivatives in material science." Continuous exploration of its properties will likely unlock further innovations across interdisciplinary fields.
5088-91-5 (Methyl 6-Cyanonaphthalene-2-carboxylate) Related Products
- 91804-23-8(2-Naphthalenecarboxylicacid, 5-cyano-, methyl ester)
- 91804-22-7(Methyl 6-cyano-1-naphthoate)
- 145224-16-4(Benzoic acid, 4-cyano-, 1-naphthalenylmethyl ester)
- 7153-22-2(Ethyl 4-cyanobenzoate)
- 1129-35-7(Methyl 4-cyanobenzoate)
- 126739-90-0(Methyl 5-Cyanoisophthalate)
- 139616-25-4(9-Phenanthrenecarboxylic acid, 3-cyano-, methyl ester)
- 145224-19-7(1-Naphthalenecarbonitrile, 4-[(benzoyloxy)methyl]-)
- 13531-48-1(3-Cyanobenzoic Acid Methyl Ester)
- 23340-69-4(Dimethyl 5-Cyanoisophthalate)