Cas no 50528-53-5 (2-isocyanato-1,3-dimethoxybenzene)
2-isocyanato-1,3-dimethoxybenzene Chemical and Physical Properties
Names and Identifiers
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- 2,6-DIMETHOXYPHENYL ISOCYANATE
- 2-isocyanato-1,3-dimethoxybenzene
- 1,3-Dimethoxy-2-isocyanatobenzene
- 2,5-DIIODOBENZHYDRAZIDE
- 2,6-dimethoxybenzenisocyanate
- 2,6-Dimethoxyphenylisocyanate,tech
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- MDL: MFCD00121242
- Inchi: 1S/C9H9NO3/c1-12-7-4-3-5-8(13-2)9(7)10-6-11/h3-5H,1-2H3
- InChI Key: RZMPHPHMBXRRPB-UHFFFAOYSA-N
- SMILES: O(C)C1C=CC=C(C=1N=C=O)OC
Computed Properties
- Exact Mass: 179.05800
- Monoisotopic Mass: 179.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 189
- 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: 47.9?2
Experimental Properties
- Melting Point: 43°C
- Boiling Point: 118°C 1,5mm
- PSA: 47.89000
- LogP: 1.67110
2-isocyanato-1,3-dimethoxybenzene Security Information
- Hazardous Material transportation number:UN 2206
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26; S36/37/39
- Risk Phrases:R20/21/22; R36/37/38
2-isocyanato-1,3-dimethoxybenzene Customs Data
- HS CODE:2929109000
- Customs Data:
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-isocyanato-1,3-dimethoxybenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FC13866-5g |
2-isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 95% | 5g |
$2249 | 2023-09-07 | |
| eNovation Chemicals LLC | D574042-5g |
2,6-Dimethoxyphenylisocyanate |
50528-53-5 | 97% | 5g |
$1200 | 2023-09-03 | |
| eNovation Chemicals LLC | D574042-25g |
2,6-Dimethoxyphenylisocyanate |
50528-53-5 | 97% | 25g |
$2600 | 2023-09-03 | |
| ChemScence | CS-0255038-1g |
2-Isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 1g |
$984.0 | 2022-04-27 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1325708-50mg |
2-Isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 98% | 50mg |
¥21384.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1325708-100mg |
2-Isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 98% | 100mg |
¥20885.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1325708-250mg |
2-Isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 98% | 250mg |
¥23403.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1325708-500mg |
2-Isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 98% | 500mg |
¥24429.00 | 2024-05-11 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1325708-1g |
2-Isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 98% | 1g |
¥23758.00 | 2024-05-11 | |
| Enamine | EN300-271034-0.05g |
2-isocyanato-1,3-dimethoxybenzene |
50528-53-5 | 95.0% | 0.05g |
$118.0 | 2025-03-20 |
2-isocyanato-1,3-dimethoxybenzene Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
Additional information on 2-isocyanato-1,3-dimethoxybenzene
Comprehensive Overview of 2-Isocyanato-1,3-dimethoxybenzene (CAS No. 50528-53-5): Properties, Applications, and Industry Trends
2-Isocyanato-1,3-dimethoxybenzene (CAS No. 50528-53-5), also known as 1,3-dimethoxy-2-isocyanatobenzene, is a specialized aromatic isocyanate compound widely utilized in advanced organic synthesis and material science. Its molecular structure features a reactive isocyanate group (-NCO) adjacent to two methoxy substituents, making it a versatile building block for polymers, coatings, and pharmaceutical intermediates. The compound’s unique reactivity profile aligns with growing industrial demand for high-performance monomers and crosslinking agents.
In recent years, the surge in green chemistry initiatives has driven research into sustainable synthesis routes for compounds like 2-isocyanato-1,3-dimethoxybenzene. Researchers are exploring catalytic methods to reduce energy consumption and byproduct formation during production. This aligns with frequent search queries such as "eco-friendly isocyanate synthesis" and "biobased aromatic monomers", reflecting broader market trends toward environmental responsibility.
The compound’s dual functionality—combining the electrophilic nature of the isocyanate group with the electron-donating effects of methoxy groups—enables diverse applications. For instance, it serves as a key intermediate in polyurethane elastomers with enhanced thermal stability, a topic frequently searched in conjunction with "high-temperature polymer additives". Additionally, its role in UV-curable resins has gained attention due to the booming demand for fast-curing coatings in automotive and electronics industries.
Analytical characterization of CAS No. 50528-53-5 typically involves FTIR spectroscopy (for NCO group detection) and HPLC purity analysis, addressing common user questions like "how to test isocyanate content". Stability studies highlight its sensitivity to moisture, necessitating storage under anhydrous conditions—a practical consideration often queried as "handling moisture-sensitive chemicals".
Emerging applications include its use in advanced adhesives for flexible electronics, correlating with trending searches on "conductive polymer binders". The compound’s methoxy groups also facilitate directed ortho-metalation in pharmaceutical synthesis, a technique explored in queries like "aromatic isocyanates in drug discovery". Regulatory compliance with REACH and other global standards remains a critical discussion point, as evidenced by search volumes for "chemical compliance documentation".
From a commercial perspective, 2-isocyanato-1,3-dimethoxybenzene caters to niche markets requiring tailored reactivity. Suppliers increasingly emphasize batch-to-batch consistency and custom packaging solutions, responding to procurement-related searches such as "specialty chemicals bulk suppliers". The compound’s pricing trends reflect fluctuations in raw material costs for anisidine derivatives, another frequently monitored keyword.
Future research directions may explore its potential in self-healing materials or covalent organic frameworks (COFs), areas generating substantial academic interest. As industries prioritize multifunctional monomers, the relevance of CAS No. 50528-53-5 is expected to grow, particularly in sectors valuing molecular precision and controllable reactivity.
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