Cas no 20925-25-1 (2-(Pyrrolidin-1-yl)benzonitrile)
2-(Pyrrolidin-1-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(Pyrrolidin-1-yl)benzonitrile
- 2-PYRROLIDIN-1-YLBENZONITRILE
- Benzonitrile, 2-(1-pyrrolidinyl)-
- 2-(1-pyrrolidinyl)benzonitrile
- 2-Pyrrolidinobenzonitrile
- 2-pyrrolidinylbenzenecarbonitrile
- Benzonitrile,2-(1-pyrrolidinyl)
- EN300-73260
- DTXSID50501072
- Benzonitrile,2-(1-pyrrolidinyl)-
- 20925-25-1
- pyrrolidinyl-benzonitrile
- BS-22046
- CS-0204929
- MFCD08435870
- AKOS000261487
- 2-(1-pyrrolidyl)benzonitrile
- SCHEMBL829177
- YUKHVYSSBBOQJW-UHFFFAOYSA-N
- Z126933544
- STL583877
-
- MDL： MFCD08435870
- Inchi： 1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
- InChI Key： YUKHVYSSBBOQJW-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2C#N)CCCC1
Computed Properties
- Exact Mass: 172.10000
- Monoisotopic Mass: 172.100048391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 209
- 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: 2.3
- Topological Polar Surface Area: 27?2
Experimental Properties
- Density: 1.12
- Boiling Point: 321.5°C at 760 mmHg
- Flash Point: 141.9°C
- Refractive Index: 1.588
- PSA: 27.03000
- LogP: 2.22348
2-(Pyrrolidin-1-yl)benzonitrile Security Information
- Hazard Statement： Irritant
-
Hazardous Material Identification：
2-(Pyrrolidin-1-yl)benzonitrile 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%
2-(Pyrrolidin-1-yl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM121320-1g |
2-(1-pyrrolidyl)benzonitrile |
20925-25-1 | 95% | 1g |
$*** | 2023-03-29 | |
| Chemenu | CM121320-5g |
2-(1-pyrrolidyl)benzonitrile |
20925-25-1 | 95% | 5g |
$*** | 2023-03-29 | |
| abcr | AB224870-1 g |
2-Pyrrolidin-1-ylbenzonitrile; 95% |
20925-25-1 | 1 g |
€135.50 | 2023-07-20 | ||
| abcr | AB224870-5 g |
2-Pyrrolidin-1-ylbenzonitrile; 95% |
20925-25-1 | 5 g |
€361.60 | 2023-07-20 | ||
| abcr | AB224870-10 g |
2-Pyrrolidin-1-ylbenzonitrile; 95% |
20925-25-1 | 10 g |
€637.00 | 2023-07-20 | ||
| TRC | P925250-250mg |
2-Pyrrolidin-1-ylbenzonitrile |
20925-25-1 | 250mg |
$ 50.00 | 2022-06-03 | ||
| TRC | P925250-500mg |
2-Pyrrolidin-1-ylbenzonitrile |
20925-25-1 | 500mg |
$ 70.00 | 2022-06-03 | ||
| TRC | P925250-2.5g |
2-Pyrrolidin-1-ylbenzonitrile |
20925-25-1 | 2.5g |
$ 295.00 | 2022-06-03 | ||
| Enamine | EN300-73260-0.05g |
2-(pyrrolidin-1-yl)benzonitrile |
20925-25-1 | 95% | 0.05g |
$19.0 | 2023-05-01 | |
| Enamine | EN300-73260-0.1g |
2-(pyrrolidin-1-yl)benzonitrile |
20925-25-1 | 95% | 0.1g |
$24.0 | 2023-05-01 |
2-(Pyrrolidin-1-yl)benzonitrile Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Additional information on 2-(Pyrrolidin-1-yl)benzonitrile
2-(Pyrrolidin-1-yl)benzonitrile: A Comprehensive Overview
2-(Pyrrolidin-1-yl)benzonitrile, also known by its CAS number 20925-25-1, is a chemical compound with significant applications in various fields. This compound is a derivative of benzonitrile, featuring a pyrrolidine ring attached to the second position of the benzene ring. The structure of this compound is characterized by a nitrile group (-CN) and a pyrrolidine substituent, which imparts unique chemical properties and reactivity.
The synthesis of 2-(Pyrrolidin-1-yl)benzonitrile involves several steps, including the formation of the benzene ring, substitution reactions, and cyclization processes. Recent advancements in synthetic chemistry have enabled more efficient and environmentally friendly methods for producing this compound. For instance, researchers have explored the use of catalytic systems to enhance reaction yields and minimize by-products.
2-(Pyrrolidin-1-yl)benzonitrile has garnered attention in the pharmaceutical industry due to its potential as a building block for drug development. The compound's ability to form hydrogen bonds and its rigid structure make it an attractive candidate for designing bioactive molecules. Studies have shown that derivatives of this compound exhibit promising activity against various diseases, including cancer and neurodegenerative disorders.
In addition to its pharmaceutical applications, 2-(Pyrrolidin-1-yl)benzonitrile has found utility in materials science. Its unique electronic properties make it suitable for use in organic electronics, such as semiconductors and light-emitting diodes (LEDs). Recent research has focused on incorporating this compound into polymer blends to enhance their electrical conductivity and mechanical stability.
The chemical properties of 2-(Pyrrolidin-1-yl)benzonitrile are influenced by the presence of both the nitrile group and the pyrrolidine ring. The nitrile group contributes to the compound's polarity and reactivity, while the pyrrolidine ring introduces steric hindrance and enhances its solubility in organic solvents. These properties make it versatile for use in various chemical reactions, including nucleophilic substitutions and additions.
From an environmental standpoint, understanding the degradation pathways of 2-(Pyrrolidin-1-yl)benzonitrile is crucial for assessing its impact on ecosystems. Recent studies have investigated the biodegradation of this compound under different environmental conditions, revealing that it can be metabolized by certain microorganisms. These findings are essential for developing sustainable practices in its production and disposal.
In conclusion, 2-(Pyrrolidin-1-yl)benzonitrile, with its CAS number 20925-25-1, is a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical structure and properties continue to drive innovative research, leading to new discoveries in drug development, materials science, and environmental chemistry. As advancements in synthetic methods and application areas unfold, this compound is poised to play an even more significant role in shaping future technologies.
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