Cas no 85118-02-1 (2,4-Difluorobenzamide)
2,4-Difluorobenzamide Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Difluorobenzamide
- Benzamide, 2,4-difluoro-
- DIFLUORO BENZAMIDE
- KTXFXDMDYZIXSJ-UHFFFAOYSA-N
- PubChem3458
- 2,4-bis(fluoranyl)benzamide
- SBB087198
- KM2286
- AS00796
- VZ22580
- SY023163
- ST2403682
- W8787
- ST50824626
- A841219
- 2,4-Difluorobenzamide (ACI)
- AS-18569
- DTXSID80234240
- AC1494
- BP-12708
- 85118-02-1
- DTXCID80156731
- SB75734
- M4L9WR3FMB
- Z33546764
- NS00065571
- 2,4-Difluorobenzamide, 97%
- EINECS 285-654-7
- AKOS008937705
- CS-W017975
- UNII-M4L9WR3FMB
- SCHEMBL293958
- MFCD00015547
- DB-019927
-
- MDL: MFCD00015547
- Inchi: 1S/C7H5F2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
- InChI Key: KTXFXDMDYZIXSJ-UHFFFAOYSA-N
- SMILES: O=C(C1C(F)=CC(F)=CC=1)N
Computed Properties
- Exact Mass: 157.03400
- Monoisotopic Mass: 157.03392
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 0.7
- Topological Polar Surface Area: 43.1
- Surface Charge: 0
- Tautomer Count: 2
Experimental Properties
- Color/Form: solid
- Density: 1.348±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 161-165?°C (lit.)
- Boiling Point: 200.4±30.0 oC (760 Torr),
- Flash Point: 75.0±24.6 oC,
- Refractive Index: 1.515
- Solubility: Very slightly soluble (0.75 g/l) (25 o C),
- PSA: 43.09000
- LogP: 1.76400
- Solubility: Not determined
2,4-Difluorobenzamide Security Information
- Signal Word:Warning
- Hazard Statement: H315; H319; H335
- Warning Statement: P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: S26-S36
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
2,4-Difluorobenzamide Customs Data
- HS CODE:2924299090
- Customs Data:
China Customs Code:
2924299090Overview:
2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, packing
Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2,4-Difluorobenzamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 001916-1g |
2,4-Difluorobenzamide |
85118-02-1 | 99% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 001916-5g |
2,4-Difluorobenzamide |
85118-02-1 | 99% | 5g |
£10.00 | 2022-03-01 | |
| Fluorochem | 001916-10g |
2,4-Difluorobenzamide |
85118-02-1 | 99% | 10g |
£16.00 | 2022-03-01 | |
| Fluorochem | 001916-25g |
2,4-Difluorobenzamide |
85118-02-1 | 99% | 25g |
£34.00 | 2022-03-01 | |
| Fluorochem | 001916-100g |
2,4-Difluorobenzamide |
85118-02-1 | 99% | 100g |
£113.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | W137074-25g |
2,4-Difluorobenzamide |
85118-02-1 | 97% | 25g |
¥236.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | W137074-1g |
2,4-Difluorobenzamide |
85118-02-1 | 97% | 1g |
¥38.90 | 2023-08-31 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | W137074-5g |
2,4-Difluorobenzamide |
85118-02-1 | 97% | 5g |
¥59.90 | 2023-08-31 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R031581-1g |
2,4-Difluorobenzamide |
85118-02-1 | 97% | 1g |
¥335 | 2024-05-21 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R031581-25g |
2,4-Difluorobenzamide |
85118-02-1 | 97% | 25g |
¥4031 | 2024-05-21 |
2,4-Difluorobenzamide Production Method
Production Method 1
1.2 Reagents: Hydrogen peroxide Catalysts: Sodium hydroxide Solvents: Water ; 3 h, 34 °C; 1 h, 35 - 40 °C; 40 °C → 5 °C
1.3 Reagents: Hydrochloric acid Solvents: Water ; neutralized, 5 °C
2,4-Difluorobenzamide Raw materials
2,4-Difluorobenzamide Preparation Products
2,4-Difluorobenzamide Related Literature
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on 2,4-Difluorobenzamide
Professional Introduction to 2,4-Difluorobenzamide (CAS No. 85118-02-1)
2,4-Difluorobenzamide, a compound with the chemical formula C?H?F?NO? and CAS number 85118-02-1, is a fluorinated benzamide derivative that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to a class of molecules that exhibit diverse biological activities, making it a valuable scaffold for the development of novel therapeutic agents.
The structural features of 2,4-difluorobenzamide include two fluorine atoms substituents at the 2nd and 4th positions of the benzene ring, coupled with an amide functional group. The presence of fluorine atoms introduces unique electronic and steric properties to the molecule, which can influence its reactivity, solubility, and binding affinity to biological targets. These characteristics make it an attractive candidate for further exploration in drug discovery and medicinal chemistry.
In recent years, there has been a growing interest in fluorinated aromatic compounds due to their enhanced metabolic stability and improved pharmacokinetic profiles compared to their non-fluorinated counterparts. 2,4-Difluorobenzamide is no exception and has been investigated for its potential applications in various therapeutic areas. One of the most notable areas of research involves its use as an intermediate in the synthesis of bioactive molecules.
Recent studies have demonstrated that 2,4-difluorobenzamide can serve as a key building block in the development of small-molecule inhibitors targeting specific enzymes and receptors involved in diseases such as cancer, inflammation, and neurodegeneration. For instance, researchers have explored its derivatives as potential inhibitors of proteases that play a crucial role in cancer progression. The fluorine atoms in the molecule enhance its binding interactions with these targets, leading to more potent and selective inhibition.
The pharmacological properties of 2,4-difluorobenzamide have also been studied in the context of anti-inflammatory therapies. By modifying its structure, scientists have synthesized analogs that exhibit significant anti-inflammatory activity without causing severe side effects. This has opened up new avenues for treating chronic inflammatory conditions such as rheumatoid arthritis and inflammatory bowel disease.
Beyond its applications in drug development, 2,4-difluorobenzamide has found utility in materials science and chemical synthesis. Its unique electronic properties make it a valuable component in the design of organic electronic materials, including light-emitting diodes (LEDs) and organic photovoltaic cells. Additionally, its role as a versatile intermediate in synthetic chemistry has been leveraged to create complex molecules with tailored properties for industrial applications.
The synthesis of 2,4-difluorobenzamide typically involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include nucleophilic aromatic substitution reactions on halogenated benzene derivatives followed by amide bond formation. Advances in synthetic methodologies have enabled more efficient and sustainable production processes for this compound.
In conclusion, 2,4-difluorobenzamide (CAS No. 85118-02-1) is a multifaceted compound with significant potential in pharmaceutical research and industrial applications. Its structural features and biological activities make it a valuable tool for developing novel therapeutics targeting various diseases. As research continues to uncover new applications for this compound, its importance in the chemical and pharmaceutical industries is likely to grow even further.
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