Cas no 442670-45-3 (2-(3-Chloro-4-methylphenyl)benzonitrile)
2-(3-Chloro-4-methylphenyl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3'-Chloro-4'-methyl-[1,1'-biphenyl]-2-carbonitrile
- [1,1'-Biphenyl]-2-carbonitrile,3'-chloro-4'-methyl-
- 2-(3-chloro-4-methylphenyl)benzonitrile
- 3'-CHLORO-4'-METHYL-2-BIPHENYLCARBONITRILE
- ACMC-1AKQ0
- AG-F-55494
- ANW-30078
- CTK4I8062
- MolPort-020-003-497
- SureCN6562393
- 3'-chloro-4'-methylbiphenyl-2-carbonitrile
- 3'-Chloro-4'-methyl[1,1'-biphenyl]-2-carbonitrile
- AKOS015888528
- 3-CHLORO-4-METHYL-2-BIPHENYLCARBONITRILE
- SCHEMBL6562393
- BS-28769
- DTXSID20594335
- MFCD07779319
- 442670-45-3
- 2-(3-Chloro-4-methylphenyl)benzonitrile
-
- MDL： MFCD07779319
- Inchi： 1S/C14H10ClN/c1-10-6-7-11(8-14(10)15)13-5-3-2-4-12(13)9-16/h2-8H,1H3
- InChI Key： AAJAXMNFOFJPKC-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C)C1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 227.05000
- Monoisotopic Mass: 227.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 280
- 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: 4.3
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79000
- LogP: 4.18708
2-(3-Chloro-4-methylphenyl)benzonitrile Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
2-(3-Chloro-4-methylphenyl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C587605-100mg |
2-(3-Chloro-4-methylphenyl)benzonitrile |
442670-45-3 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | C587605-250mg |
2-(3-Chloro-4-methylphenyl)benzonitrile |
442670-45-3 | 250mg |
$98.00 | 2023-05-18 | ||
| TRC | C587605-500mg |
2-(3-Chloro-4-methylphenyl)benzonitrile |
442670-45-3 | 500mg |
$150.00 | 2023-05-18 | ||
| TRC | C587605-1g |
2-(3-Chloro-4-methylphenyl)benzonitrile |
442670-45-3 | 1g |
$207.00 | 2023-05-18 | ||
| abcr | AB146654-1 g |
3'-Chloro-4'-methyl-2-biphenylcarbonitrile, 98%; . |
442670-45-3 | 98% | 1g |
€246.00 | 2023-05-09 | |
| abcr | AB146654-5 g |
3'-Chloro-4'-methyl-2-biphenylcarbonitrile, 98%; . |
442670-45-3 | 98% | 5g |
€654.00 | 2023-05-09 | |
| Alichem | A019121619-10g |
3'-Chloro-4'-methyl-[1,1'-biphenyl]-2-carbonitrile |
442670-45-3 | 95% | 10g |
$552.90 | 2023-09-01 | |
| abcr | AB146654-1g |
3'-Chloro-4'-methyl-2-biphenylcarbonitrile, 98%; . |
442670-45-3 | 98% | 1g |
€246.00 | 2025-04-18 | |
| abcr | AB146654-5g |
3'-Chloro-4'-methyl-2-biphenylcarbonitrile, 98%; . |
442670-45-3 | 98% | 5g |
€654.00 | 2025-04-18 | |
| A2B Chem LLC | AG32812-1g |
2-(3-Chloro-4-methylphenyl)benzonitrile |
442670-45-3 | 98% | 1g |
$142.00 | 2024-04-20 |
2-(3-Chloro-4-methylphenyl)benzonitrile Suppliers
Audited Supplier
2-(3-Chloro-4-methylphenyl)benzonitrile Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 2-(3-Chloro-4-methylphenyl)benzonitrile
2-(3-Chloro-4-methylphenyl)benzonitrile: A Comprehensive Overview
The compound 2-(3-Chloro-4-methylphenyl)benzonitrile, identified by the CAS number 442670-45-3, is a highly specialized organic molecule with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which combines a benzonitrile group with a substituted phenyl ring. The presence of the cyano group (-CN) and the chloromethyl substitution on the aromatic ring imparts distinctive electronic and structural properties to this molecule, making it a subject of interest in both academic research and industrial applications.
Recent studies have highlighted the potential of 2-(3-Chloro-4-methylphenyl)benzonitrile in the development of advanced materials, particularly in the realm of organic electronics. Researchers have explored its role as a building block for constructing functional polymers and small molecules with tailored electronic properties. The compound's ability to undergo various chemical transformations, such as nucleophilic substitution and coupling reactions, has further expanded its utility in synthetic chemistry.
One of the most notable advancements involving this compound is its application in drug discovery. The cyano group's electron-withdrawing nature enhances the molecule's reactivity, making it a valuable intermediate in the synthesis of bioactive compounds. For instance, studies have demonstrated that derivatives of 2-(3-Chloro-4-methylphenyl)benzonitrile exhibit promising anti-inflammatory and anticancer activities, paving the way for potential therapeutic applications.
In addition to its role in medicinal chemistry, 2-(3-Chloro-4-methylphenyl)benzonitrile has found applications in catalysis. Its ability to act as a ligand in transition metal complexes has been exploited to develop efficient catalysts for various organic reactions. Recent research has focused on optimizing these catalytic systems to improve reaction yields and selectivity, further underscoring the compound's versatility.
The synthesis of 2-(3-Chloro-4-methylphenyl)benzonitrile involves a series of well-established organic reactions, including Friedel-Crafts alkylation and nucleophilic aromatic substitution. These methods allow for precise control over the substitution pattern on the aromatic ring, ensuring high purity and reproducibility of the final product. The availability of this compound from reliable chemical suppliers has facilitated its widespread use in both academic and industrial settings.
From an environmental perspective, understanding the fate and behavior of 2-(3-Chloro-4-methylphenyl)benzonitrile in natural systems is crucial for assessing its potential impact on ecosystems. Recent studies have investigated its biodegradation pathways and toxicity profiles, providing valuable insights into its environmental compatibility. These findings are essential for guiding responsible use and disposal practices.
In conclusion, 2-(3-Chloro-4-methylphenyl)benzonitrile stands out as a versatile and multifaceted compound with significant implications across diverse scientific disciplines. Its unique chemical properties, coupled with ongoing advancements in synthetic methodologies and application development, ensure that this compound will continue to play a pivotal role in shaping future innovations in chemistry and materials science.
442670-45-3 (2-(3-Chloro-4-methylphenyl)benzonitrile) Related Products
- 1338095-85-4(2-(3-chlorophenyl)benzonitrile)
- 1352318-57-0(2-(3,5-dichlorophenyl)benzonitrile)
- 1352318-58-1(2-(3,4-dichlorophenyl)benzonitrile)
- 860702-58-5(5-Chloro-biphenyl-2-carbonitrile)
- 1039765-91-7(3-Chloro-1,1'-biphenyl-2-carbonitrile)
- 1361494-29-2(3,2',3',6'-Tetrachlorobiphenyl-2-carbonitrile)
- 1349059-34-2(2-Chloro-4-(2-methylphenyl)benzonitrile)
- 917839-54-4(2',4'-Dichloro-4,5-dimethyl[1,1'-biphenyl]-2-carbonitrile)
- 1361650-10-3(6,2',3',6'-Tetrachlorobiphenyl-2-carbonitrile)
- 819070-57-0([1,1'-Biphenyl]-2,2'-dicarbonitrile, 4,4'-dichloro-)
