Cas no 52951-14-1 (1-Methyl-1H-indole-7-carbonitrile)

1-Methyl-1H-indole-7-carbonitrile is a heterocyclic organic compound featuring an indole core substituted with a methyl group at the 1-position and a cyano group at the 7-position. This structure imparts unique reactivity, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The electron-withdrawing nitrile group enhances its utility in cross-coupling reactions and further functionalization. Its stable crystalline form ensures ease of handling and storage under standard conditions. The compound is particularly useful in the development of bioactive molecules due to its ability to serve as a versatile building block for indole-based scaffolds. High purity grades are available for research and industrial applications.
1-Methyl-1H-indole-7-carbonitrile structure
52951-14-1 structure
Product Name:1-Methyl-1H-indole-7-carbonitrile
CAS No:52951-14-1
MF:C10H8N2
MW:156.183921813965
CID:937738
PubChem ID:24229743
Update Time:2025-06-29

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:

    2933990090

    Overview:

    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

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.

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.