Cas no 146351-93-1 (Benzonitrile,2-amino-3,5-dimethyl-)
Benzonitrile,2-amino-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-amino-3,5-dimethyl-
- 2-amino-3,5-dimethylbenzonitrile
- 2-AMINO-3,5-DIMETHYL-BENZONITRILE
- 2-CYANO-4,6-DIMETHYLANILINE
- BENZONITRILE,2-AMINO-3,5-DIMETHYL
- Benzonitrile, 2-amino-3,5-dimethyl- (9CI)
- MFCD08236736
- AN-584/43413322
- 5-(4-Methoxyphenyl)-1,2,4-oxadiazole-3-carboxylicacid
- C90406
- 2-amino-3,5-dimethyl benzonitrile
- AB43888
- VCWAINGMZPOJFI-UHFFFAOYSA-N
- 146351-93-1
- AKOS006284749
- SCHEMBL6589859
-
- MDL: MFCD08236736
- Inchi: 1S/C9H10N2/c1-6-3-7(2)9(11)8(4-6)5-10/h3-4H,11H2,1-2H3
- InChI Key: VCWAINGMZPOJFI-UHFFFAOYSA-N
- SMILES: NC1C(C#N)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 146.08400
- Monoisotopic Mass: 146.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 179
- 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: 2.2
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.81000
- LogP: 2.33848
Benzonitrile,2-amino-3,5-dimethyl- Security Information
- Hazardous Material transportation number:UN 3439
- Hazard Category Code: 20/21/22-36/37/38
- Safety Instruction: S26
- Safety Term:S26-36/37/39
- Risk Phrases:R20/21/22; R36/37/38
Benzonitrile,2-amino-3,5-dimethyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB173935-250 mg |
2-Amino-3,5-dimethylbenzonitrile; 97% |
146351-93-1 | 250MG |
€315.30 | 2022-06-11 | ||
| abcr | AB173935-1 g |
2-Amino-3,5-dimethylbenzonitrile; 97% |
146351-93-1 | 1g |
€585.60 | 2022-06-11 | ||
| abcr | AB173935-250mg |
2-Amino-3,5-dimethylbenzonitrile, 97%; . |
146351-93-1 | 97% | 250mg |
€322.80 | 2024-04-19 | |
| abcr | AB173935-1g |
2-Amino-3,5-dimethylbenzonitrile, 97%; . |
146351-93-1 | 97% | 1g |
€592.60 | 2024-04-19 | |
| 1PlusChem | 1P00AOZ5-250mg |
2-AMINO-3,5-DIMETHYL-BENZONITRILE |
146351-93-1 | 97% | 250mg |
$224.00 | 2024-06-20 | |
| 1PlusChem | 1P00AOZ5-1g |
2-AMINO-3,5-DIMETHYL-BENZONITRILE |
146351-93-1 | 97% | 1g |
$413.00 | 2024-06-20 |
Benzonitrile,2-amino-3,5-dimethyl- Suppliers
Benzonitrile,2-amino-3,5-dimethyl- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
Additional information on Benzonitrile,2-amino-3,5-dimethyl-
Benzonitrile,2-amino-3,5-dimethyl-
Benzonitrile,2-amino-3,5-dimethyl- (CAS No. 146351-93-1) is a chemical compound with a unique structure that has garnered attention in various scientific and industrial applications. This compound belongs to the class of nitriles and is characterized by its benzonitrile backbone with specific substituents: an amino group at the 2-position and methyl groups at the 3 and 5 positions. Its molecular formula is C9H11N, and it has a molecular weight of approximately 147.2 g/mol.
The synthesis of Benzonitrile,2-amino-3,5-dimethyl- involves a series of organic reactions that ensure the precise placement of substituents on the aromatic ring. The process typically begins with the preparation of a suitable benzene derivative, followed by nitration or substitution reactions to introduce the nitrile group. The amino group is then introduced via nucleophilic substitution or other specialized techniques, while the methyl groups are added through alkylation or methylation processes. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, making the synthesis of this compound more accessible for large-scale production.
One of the most notable applications of Benzonitrile,2-amino-3,5-dimethyl- is in the field of pharmaceutical chemistry. The compound serves as an intermediate in the synthesis of various bioactive molecules, including antibiotics and anti-inflammatory agents. Its structure provides a versatile platform for further functionalization, allowing chemists to explore diverse chemical space for drug discovery. For instance, researchers have utilized this compound as a starting material for developing compounds with potential anti-cancer properties.
In addition to its role in drug development, Benzonitrile,2-amino-3,5-dimethyl- has found applications in materials science. The compound's ability to form stable coordination complexes makes it valuable in catalysis and sensor technology. Recent studies have highlighted its potential as a ligand in metalloenzyme mimics, where it facilitates selective catalytic transformations under mild conditions. This property opens new avenues for green chemistry and sustainable chemical processes.
The physical properties of Benzonitrile,2-amino-3,5-dimethyl- are also worth noting. It has a melting point of approximately 85°C and a boiling point around 280°C under standard conditions. The compound is slightly soluble in water but exhibits good solubility in organic solvents such as dichloromethane and ethyl acetate. These properties make it suitable for use in various solvent systems during chemical synthesis.
From an environmental perspective, understanding the degradation pathways of Benzonitrile-based compounds is crucial for assessing their ecological impact. Recent research has focused on microbial degradation mechanisms, revealing that certain bacteria can metabolize this compound under specific conditions. This knowledge is essential for developing strategies to mitigate potential environmental risks associated with its use.
In conclusion, Benzonitrile, specifically its 2-amino-3,5-dimethyl derivative (CAS No. 146351-93-1), is a versatile compound with wide-ranging applications across multiple disciplines. Its unique structure enables diverse chemical transformations, making it an invaluable tool in modern chemistry. As research continues to uncover new applications and improve synthetic methodologies, this compound will likely play an even more significant role in advancing scientific and industrial goals.
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