Cas no 508203-48-3 (2,3-Difluoro-4-methylbenzonitrile)
2,3-Difluoro-4-methylbenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Difluoro-4-methylbenzonitrile
- Benzonitrile, 2,3-difluoro-4-methyl- (9CI)
- 2,3-difluoro-4-methyl-benzonitrile
- 4-methyl-2,3-difluorobenzonitrile
- JRD-1837
- Benzonitrile, 2,3-difluoro-4-methyl-
- WENILJFVUHUBBV-UHFFFAOYSA-N
- SBB086883
- 2,3-difluoro-4-methylbenzenecarbonitrile
- AK324416
- 2,3 - Difluoro - 4 - methylbenzonitrile
- DS-11527
- DTXSID10590649
- CS-0153736
- AKOS015956894
- AMY6206
- SCHEMBL410450
- MFCD06660243
- A871447
- O10571
- 508203-48-3
-
- MDL: MFCD06660243
- Inchi: 1S/C8H5F2N/c1-5-2-3-6(4-11)8(10)7(5)9/h2-3H,1H3
- InChI Key: WENILJFVUHUBBV-UHFFFAOYSA-N
- SMILES: FC1C(=C(C#N)C=CC=1C)F
Computed Properties
- Exact Mass: 153.03900
- Monoisotopic Mass: 153.039006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 184
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.2
- Topological Polar Surface Area: 23.8
Experimental Properties
- Color/Form: White crystal powder
- Density: 1.217
- Melting Point: 43-45℃
- Boiling Point: 218.402°C at 760 mmHg
- Flash Point: 85.887°C
- Refractive Index: 1.487
- PSA: 23.79000
- LogP: 2.14488
- Solubility: Not determined
2,3-Difluoro-4-methylbenzonitrile Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- HazardClass:6.1
- PackingGroup:III
- Packing Group:III
- Packing Group:III
- Storage Condition:Room temperature storage
2,3-Difluoro-4-methylbenzonitrile 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-Difluoro-4-methylbenzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-SO581-5g |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 98% | 5g |
845.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-SO581-1g |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 98% | 1g |
273.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-SO581-250mg |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 98% | 250mg |
142CNY | 2021-05-07 | |
| TRC | D448433-100mg |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | D448433-250mg |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | D448433-500mg |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | D448433-1g |
2,3-Difluoro-4-methylbenzonitrile |
508203-48-3 | 1g |
$98.00 | 2023-05-18 | ||
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D860004-1g |
2,3-Difluoro-4-Methyl-Benzonitrile |
508203-48-3 | ≥98% | 1g |
¥213.30 | 2022-01-10 | |
| abcr | AB212103-1 g |
2,3-Difluoro-4-methylbenzonitrile, 97%; . |
508203-48-3 | 97% | 1g |
€93.80 | 2023-05-06 | |
| abcr | AB212103-5 g |
2,3-Difluoro-4-methylbenzonitrile, 97%; . |
508203-48-3 | 97% | 5g |
€160.90 | 2023-05-06 |
2,3-Difluoro-4-methylbenzonitrile Suppliers
2,3-Difluoro-4-methylbenzonitrile Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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
Additional information on 2,3-Difluoro-4-methylbenzonitrile
2,3-Difluoro-4-methylbenzonitrile (CAS No. 508203-48-3): A Versatile Organic Building Block in Modern Pharmaceutical and Material Science Applications
2,3-Difluoro-4-methylbenzonitrile is a fluorinated aromatic nitrile compound with a unique combination of electron-withdrawing groups and a versatile functional group. Its molecular structure, defined by the CAS No. 508203-48-3, features a benzene ring substituted with fluorine atoms at positions 2 and 3, a methyl group at position 4, and a nitrile group at position 1. This molecular architecture confers distinct physicochemical properties, making it a critical intermediate in synthetic chemistry. Recent studies have highlighted its potential in the development of novel pharmaceutical agents and advanced materials, underscoring its importance in modern chemical research.
The 2,3-Difluoro-4-methylbenzonitrile molecule exhibits exceptional stability under mild reaction conditions, which is a key factor in its application as a synthetic precursor. Fluorine atoms at positions 2 and 3 introduce electron-deficient characteristics, influencing the reactivity and selectivity of the molecule in various chemical transformations. The nitrile group at position 1 provides a reactive site for nucleophilic substitution, enabling the formation of diverse derivatives. This structural versatility has been extensively explored in recent years, with researchers leveraging its unique properties to design compounds with tailored functionalities.
Recent advancements in synthetic methodologies have expanded the utility of 2,3-Difluoro-4-methylbenzonitrile. For instance, a 2023 study published in *Organic Chemistry Perspectives* demonstrated its role in the efficient synthesis of fluorinated heterocyclic compounds, which are promising candidates for antiviral and anticancer drug development. The fluorine atoms in the molecule enhance metabolic stability, while the nitrile group facilitates the introduction of pharmacophoric moieties through selective functionalization. This dual functionality has positioned 2,3-Difluoro-4-methylbenzonitrile as a key player in the design of next-generation therapeutics.
In addition to pharmaceutical applications, 2,3-Difluoro-4-methylbenzonitrile has shown potential in material science. Its fluorinated aromatic framework is compatible with polymerization processes, enabling the creation of fluorinated polymers with enhanced thermal and chemical resistance. A 2022 study in *Advanced Materials* reported the use of this compound as a monomer in the synthesis of high-performance coatings and membrane materials. The nitrile group further contributes to the material's mechanical strength and durability, making it suitable for applications in aerospace and electronics industries.
The synthesis of 2,3-Difluoro-4-methylbenzonitrile typically involves fluorination reactions of aromatic precursors, followed by nitrile formation. Recent progress in catalytic methods has improved the efficiency of these processes, reducing the environmental impact and cost of production. Researchers are also exploring green chemistry approaches to synthesize this compound, aligning with global sustainability goals. The ability to produce 2,3-Difluoro-4-methylbenzonitrile in high purity and yield is critical for its widespread adoption in industrial applications.
As the demand for fluorinated compounds continues to grow, 2,3-Difluoro-4-methylbenzonitrile is poised to play an increasingly important role in both pharmaceutical and material science sectors. Its unique molecular structure, combined with the strategic placement of fluorine atoms and a nitrile group, makes it a valuable building block for the development of innovative products. Ongoing research is expected to further expand its applications, solidifying its status as a key compound in modern chemical innovation.
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