Cas no 1186310-98-4 (2-Chloro-3-(dimethoxymethyl)isonicotinonitrile)
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile
- A-6119
- AKOS015848847
- 2-chloro-3-(dimethoxymethyl)pyridine-4-carbonitrile
- 1186310-98-4
- DTXSID90674052
- 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile, AldrichCPR
- MFCD12922734
-
- MDL: MFCD12922734
- Inchi: 1S/C9H9ClN2O2/c1-13-9(14-2)7-6(5-11)3-4-12-8(7)10/h3-4,9H,1-2H3
- InChI Key: GJWYBPKJLNAJEQ-UHFFFAOYSA-N
- SMILES: ClC1C(=C(C#N)C=CN=1)C(OC)OC
Computed Properties
- Exact Mass: 212.03500
- Monoisotopic Mass: 212.0352552g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 224
- 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: 1.2
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.14000
- LogP: 1.89808
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Customs Data
- HS CODE:2933399090
- Customs Data:
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | ADE000666-1G |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 1g |
¥10696.47 | 2023-11-11 | ||
| Chemenu | CM310189-1g |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 95% | 1g |
$853 | 2021-08-18 | |
| TRC | C360070-25mg |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 25mg |
$ 190.00 | 2023-04-18 | ||
| TRC | C360070-50mg |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 50mg |
$ 305.00 | 2023-04-18 | ||
| TRC | C360070-100mg |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 100mg |
$ 471.00 | 2023-04-18 | ||
| TRC | C360070-250mg |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 250mg |
$ 821.00 | 2023-04-18 | ||
| Chemenu | CM310189-1g |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 95% | 1g |
$903 | 2022-06-14 | |
| abcr | AB263257-1 g |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 1g |
€891.00 | 2023-04-27 | ||
| abcr | AB263257-1g |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile; . |
1186310-98-4 | 1g |
€891.00 | 2025-03-19 | ||
| Ambeed | A515168-1g |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile |
1186310-98-4 | 95+% | 1g |
$912.0 | 2024-04-25 |
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
Additional information on 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile
Comprehensive Overview of 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile (CAS No. 1186310-98-4)
2-Chloro-3-(dimethoxymethyl)isonicotinonitrile (CAS No. 1186310-98-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This nitrile derivative, characterized by its unique dimethoxymethyl and chloro substituents, serves as a versatile intermediate in the synthesis of bioactive molecules. Its molecular structure, combining an isonicotinonitrile core with functional groups, enables diverse applications in drug discovery and material science.
In recent years, the demand for high-purity intermediates like 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile has surged, driven by advancements in heterocyclic chemistry and small-molecule therapeutics. Researchers frequently search for "synthesis methods for isonicotinonitrile derivatives" or "applications of chloro-substituted nitriles," reflecting the compound's relevance in modern chemistry. Its role in constructing pyridine-based scaffolds—a key motif in FDA-approved drugs—further underscores its industrial importance.
The compound's dimethoxymethyl group enhances its reactivity in cross-coupling reactions, a topic trending in green chemistry forums. With growing interest in sustainable synthesis, questions like "how to optimize yield for 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile" are common among chemists. Analytical techniques such as HPLC and NMR are critical for verifying its purity, a concern highlighted in queries like "CAS 1186310-98-4 purity standards."
Beyond pharmaceuticals, 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile is explored in agrochemical formulations, particularly in developing crop protection agents. Searches for "nitrile compounds in agriculture" align with this application. The compound's stability under varying pH conditions—addressed in studies on "hydrolysis resistance of isonicotinonitriles"—makes it suitable for field-use formulations.
From a regulatory perspective, CAS 1186310-98-4 complies with major chemical inventories like REACH and TSCA, ensuring its global accessibility. Discussions on "safe handling of nitrile derivatives" emphasize proper storage (e.g., anhydrous environments) to preserve its chemical integrity. As innovation in catalysis evolves, this compound's utility in palladium-catalyzed reactions remains a focal point for patent filings.
In summary, 2-Chloro-3-(dimethoxymethyl)isonicotinonitrile exemplifies the intersection of structural complexity and functional adaptability. Its alignment with trends like precision synthesis and bioactive material design ensures sustained relevance. For researchers navigating "advanced heterocyclic intermediates," this compound offers a compelling case study in molecular innovation.
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