Cas no 52951-14-1 (1-Methyl-1H-indole-7-carbonitrile)
1-Methyl-1H-indole-7-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-Methyl-1H-indole-7-carbonitrile
- 1h-indole-7-carbonitrile,1-methyl-
- 1-methylindole-7-carbonitrile
- 1-Benzopyrrol-7-carbonitril
- 1H-Indole-7-carbonitrile,1-methyl
- 1-methyl-indole-7-carbonitrile
- CCA95114
- DB-071612
- AKOS006343742
- DTXSID60640446
- CS-0314729
- SCHEMBL17069069
- 52951-14-1
- MFCD09263864
- AS-8066
- F87993
-
- Inchi: 1S/C10H8N2/c1-12-6-5-8-3-2-4-9(7-11)10(8)12/h2-6H,1H3
- InChI Key: AWHDVBPFISCVRT-UHFFFAOYSA-N
- SMILES: N1(C)C=CC2C=CC=C(C#N)C1=2
Computed Properties
- Exact Mass: 156.06900
- Monoisotopic Mass: 156.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 215
- 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: 1.7
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 1.09
- Melting Point: 67.5-69.5°C
- Boiling Point: 327.8°C at 760 mmHg
- Flash Point: 152°C
- Refractive Index: 1.603
- PSA: 28.72000
- LogP: 2.04998
1-Methyl-1H-indole-7-carbonitrile Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-Methyl-1H-indole-7-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A199008439-5g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 97% | 5g |
$820.00 | 2023-09-01 | |
| Alichem | A199008439-10g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 97% | 10g |
$1,218.06 | 2022-03-31 | |
| Alichem | A199008439-25g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 97% | 25g |
$1960.00 | 2023-09-01 | |
| Chemenu | CM235664-1g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 95%+ | 1g |
$292 | 2021-08-04 | |
| Chemenu | CM235664-5g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 95%+ | 5g |
$584 | 2021-08-04 | |
| Chemenu | CM235664-10g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 95%+ | 10g |
$879 | 2021-08-04 | |
| Chemenu | CM235664-25g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 95%+ | 25g |
$1468 | 2021-08-04 | |
| Apollo Scientific | OR14945-100mg |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 97% | 100mg |
£60.00 | 2023-09-02 | |
| Chemenu | CM235664-1g |
1-Methyl-1H-indole-7-carbonitrile |
52951-14-1 | 95%+ | 1g |
$313 | 2023-02-02 | |
| abcr | AB223079-1g |
1-Methyl-1H-indole-7-carbonitrile, 95%; . |
52951-14-1 | 95% | 1g |
€151.00 | 2025-04-18 |
1-Methyl-1H-indole-7-carbonitrile Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on 1-Methyl-1H-indole-7-carbonitrile
1-Methyl-1H-indole-7-carbonitrile (CAS No: 52951-14-1)
1-Methyl-1H-indole-7-carbonitrile, also known by its CAS number 52951-14-1, is a heterocyclic organic compound with a unique structure that combines an indole ring system with a methyl group and a cyano substituent. This compound has garnered significant attention in the fields of organic chemistry, pharmacology, and materials science due to its versatile properties and potential applications. The indole moiety, a bicyclic structure consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing ring, forms the core of this molecule. The methyl group attached to the nitrogen atom and the cyano group at the seventh position of the indole ring contribute to its distinct chemical characteristics.
The synthesis of 1-Methyl-1H-indole-7-carbonitrile involves a series of well-established organic reactions, including nucleophilic substitutions, cyclizations, and oxidations. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound. For instance, researchers have explored the use of transition metal catalysts to facilitate the formation of the indole ring system, thereby improving yields and reducing reaction times. These developments underscore the importance of continuous innovation in synthetic chemistry to meet the growing demand for complex molecules like 52951-14-1.
In terms of applications, 1-Methyl-1H-indole-7-carbonitrile has shown promise in various areas. In pharmacology, it has been investigated as a potential lead compound for drug development due to its ability to interact with specific biological targets. For example, studies have demonstrated that this compound exhibits modulatory effects on certain ion channels and enzymes, making it a valuable tool in drug discovery efforts. Additionally, its electronic properties make it an attractive candidate for use in organic electronics and optoelectronic devices.
The cyano group at the seventh position of the indole ring plays a crucial role in determining the compound's reactivity and functionality. This substituent introduces electron-withdrawing effects, which can influence both the physical properties and chemical reactivity of the molecule. Recent research has focused on leveraging these properties to design new materials with tailored characteristics. For instance, scientists have explored the use of 52951-14-1 as a building block for constructing advanced materials such as conductive polymers and semiconductors.
In conclusion, 1-Methyl-1H-indole-7-carbonitrile (CAS No: 52951-14-1) is a versatile compound with a rich structural framework that offers numerous opportunities for exploration and application. Its unique combination of an indole core with functional substituents positions it as an important molecule in contemporary chemical research. As ongoing studies continue to uncover new insights into its properties and potential uses, this compound is likely to play an increasingly significant role in advancing various scientific disciplines.
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