Cas no 39687-95-1 (methyl 2-isocyanoacetate)
methyl 2-isocyanoacetate Chemical and Physical Properties
Names and Identifiers
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- Methyl isocyanoacetate
- Methyl isocyanoacetate, technical grade
- (2-Oxo-2-methoxyethyl) isocyanide
- 2-Isocyanoacetic acid methyl ester
- 2-Oxo-2-methoxyethyl isocyanide
- Methyl 2-isocyanoacetate
- Acetic acid, 2-isocyano-, Methyl ester
- Methyl Isocyanoaceta
- Isocyanoacetic Acid Methyl Ester
- Aceticacid, isocyano-, methyl ester (9CI)
- Methyl a-isocyanoacetate
- Methylisocyanoacetate
- Isocyano-acetic acid methyl ester
- Methyl isocyanoacetate, 95%, tech.
- methyl-isocyanoacetate
- Acetic acid,2-isocyano-, methyl ester
- methyl isocyano-acetate
- methyl alpha-isocyanoacetate
- KSC581O3D
- AB0000948
- AB1002182
- M2549
- InChI=1/C4H5NO2/c1-5-3-4
- FT-0639566
- MFCD00000006
- AKOS015950609
- EN300-50659
- NS00057701
- 39687-95-1
- GEO-03019
- A848819
- GS-0284
- InChI=1/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H
- 2-Isocyanoacetic Acid Methyl Ester; Methyl 2-Isocyanoacetate; Methyl alpha-Isocyanoacetate;
- DB-049465
- Acetic acid, isocyano-, methyl ester
- methyl 2-isocyanoacetate
-
- MDL: MFCD00000006
- Inchi: 1S/C4H5NO2/c1-5-3-4(6)7-2/h3H2,2H3
- InChI Key: CRXFROMHHBMNAB-UHFFFAOYSA-N
- SMILES: O(C)C(C[N+]#[C-])=O
Computed Properties
- Exact Mass: 99.03200
- Monoisotopic Mass: 99.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 110
- 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: -0.5
- Topological Polar Surface Area: 30.7
Experimental Properties
- Color/Form: Not available
- Density: 1.09?g/mL?at 25?°C(lit.)
- Melting Point: No data available
- Boiling Point: 75-76?°C/10?mmHg(lit.)
- Flash Point: Fahrenheit: 183.2 ° f < br / > Celsius: 84 ° C < br / >
- Refractive Index: n20/D 1.417(lit.)
- Water Partition Coefficient: Miscible with organic solvents. Slightly miscible with water.
- PSA: 26.30000
- LogP: -0.69060
- Solubility: Not available
- Vapor Pressure: No data available
methyl 2-isocyanoacetate Security Information
-
Symbol:
- Prompt:dangerous
- Signal Word:Danger
- Hazard Statement: H302 + H312 + H332-H314
- Warning Statement: P280-P305+P351+P338-P310
- Hazardous Material transportation number:UN 2922 8/PG 2
- WGK Germany:3
- Hazard Category Code: 20/21/22-34
- Safety Instruction: S26; S36/37/39; S45
- FLUKA BRAND F CODES:8-9-32-13-19
-
Hazardous Material Identification:
- Safety Term:S26;S36/37/39;S45
- HazardClass:8
- PackingGroup:II
- Storage Condition:2-8°C
- Risk Phrases:R20/21/22; R34
methyl 2-isocyanoacetate 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 2-isocyanoacetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | M2549-5G |
Methyl Isocyanoacetate |
39687-95-1 | >97.0%(GC) | 5g |
¥550.00 | 2024-04-15 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | M2549-1G |
Methyl Isocyanoacetate |
39687-95-1 | >97.0%(GC) | 1g |
¥230.00 | 2024-04-15 | |
| TRC | M314050-5g |
Methyl Isocyanoacetate |
39687-95-1 | 5g |
$136.00 | 2023-05-17 | ||
| TRC | M314050-10g |
Methyl Isocyanoacetate |
39687-95-1 | 10g |
$ 181.00 | 2023-09-07 | ||
| TRC | M314050-25g |
Methyl Isocyanoacetate |
39687-95-1 | 25g |
$ 300.00 | 2022-06-04 | ||
| TRC | M314050-100g |
Methyl Isocyanoacetate |
39687-95-1 | 100g |
$928.00 | 2023-05-17 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 238880-1G |
methyl 2-isocyanoacetate |
39687-95-1 | 95% | 1g |
¥559.01 | 2023-12-09 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 238880-5G |
methyl 2-isocyanoacetate |
39687-95-1 | 95% | 5g |
¥1419.59 | 2023-12-09 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | M829798-25g |
Methyl isocyanoacetate |
39687-95-1 | 95% | 25g |
742.00 | 2021-05-17 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | M87260-1g |
METHYL ISOCYANOACETATE |
39687-95-1 | 1g |
¥58.0 | 2021-09-08 |
methyl 2-isocyanoacetate Suppliers
methyl 2-isocyanoacetate Related Literature
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Hanuman P. Kalmode,Kamlesh S. Vadagaonkar,Kaliyappan Murugan,Atul C. Chaskar New J. Chem. 2015 39 4631
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Hanuman P. Kalmode,Kamlesh S. Vadagaonkar,Kaliyappan Murugan,Sattey Prakash,Atul C. Chaskar RSC Adv. 2015 5 35166
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Rajni Khajuria,Sumita Dham,Kamal K. Kapoor RSC Adv. 2016 6 37039
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Yong-Ji Hu,Yu Zhou,Jing-Jing Gao,Han Zhang,Kai-Rui Yang,Jia-Jun Li,Xiao-Xin Yan,Yuan-Lin Li,Yan-Ping Zhu Org. Chem. Front. 2022 9 1403
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Dipak Kumar Tiwari,Jaya Pogula,B. Sridhar,Dharmendra Kumar Tiwari,Pravin R. Likhar Chem. Commun. 2015 51 13646
Additional information on methyl 2-isocyanoacetate
Introduction to Methyl 2-Isocyanoacetate (CAS No. 39687-95-1)
Methyl 2-isocyanoacetate, also known by its CAS number 39687-95-1, is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound, with the molecular formula C4H5NO2, is a derivative of isocyanoacetic acid and has gained attention due to its unique reactivity and potential in advanced chemical synthesis. The compound is characterized by its isocyanate group (-NCO) attached to a methyl ester, making it a valuable intermediate in the synthesis of polymers, pharmaceuticals, and specialty chemicals.
The methyl 2-isocyanoacetate molecule exhibits a combination of nucleophilic and electrophilic reactivity, which makes it an attractive building block for constructing complex molecular architectures. Recent studies have highlighted its role in the development of novel materials, including biodegradable polymers and advanced coatings. For instance, researchers have explored its use in synthesizing polyurethanes with enhanced mechanical properties and environmental compatibility. These findings underscore the importance of methyl 2-isocyanoacetate in sustainable materials science.
In the pharmaceutical industry, methyl 2-isocyanoacetate has been employed as an intermediate in the synthesis of bioactive compounds. Its ability to undergo various transformations, such as nucleophilic additions and cyclizations, has facilitated the creation of drug candidates with potential therapeutic applications. For example, recent studies have demonstrated its utility in the development of inhibitors for enzymes involved in cancer progression. These advancements highlight the compound's significance in drug discovery and development.
The synthesis of methyl 2-isocyanoacetate typically involves multi-step processes that require precise control over reaction conditions to ensure high purity and yield. One common approach involves the reaction of isocyanic acid derivatives with appropriate esters or acids, followed by purification techniques such as distillation or chromatography. The optimization of these processes has been a focus of recent research efforts, driven by the need for scalable and cost-effective production methods.
From an environmental perspective, the handling and disposal of methyl 2-isocyanoacetate must adhere to established safety protocols to minimize ecological impact. Its reactivity necessitates careful storage and handling to prevent unwanted reactions or exposure risks. Researchers have also explored methods to improve the sustainability of its production, including the use of renewable feedstocks and energy-efficient synthesis pathways.
In conclusion, methyl 2-isocyanoacetate (CAS No. 39687-95-1) stands as a critical compound in modern chemistry, offering diverse applications across multiple industries. Its unique chemical properties and versatility make it an essential tool for scientists and engineers working on cutting-edge materials and pharmaceuticals. As research continues to uncover new potential uses for this compound, its role in advancing technological innovation is expected to grow significantly.
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