Cas no 319457-34-6 (2-Acetyl-3,6-difluorobenzoic acid)
2-Acetyl-3,6-difluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-Acetyl-3,6-difluorobenzoic acid
- acetyldifluorobenzoic acid
- PC3688
- SCHEMBL3757971
- 319457-34-6
- MFCD00800682
- AKOS005257930
- DTXSID40377708
- 2-ACETYL-3,6-DIFLUOROBENZOICACID
- FT-0600100
- A821066
- CS-0365373
-
- Inchi： 1S/C9H6F2O3/c1-4(12)7-5(10)2-3-6(11)8(7)9(13)14/h2-3H,1H3,(H,13,14)
- InChI Key： IHGWIRJWNPNDTJ-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C(C(=O)O)=C1C(C)=O)F
Computed Properties
- Exact Mass: 200.02900
- Monoisotopic Mass: 200.029
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 2
- XLogP3: 1.3
- Topological Polar Surface Area: 54.4A^2
Experimental Properties
- Color/Form: White or cream powder
- Density: 1.4±0.1 g/cm3
- Melting Point: 83-88°C
- Boiling Point: 314.5±42.0 °C at 760 mmHg
- Flash Point: 144.0±27.9 °C
- Refractive Index: 1.52
- PSA: 54.37000
- LogP: 1.86560
- Solubility: Not determined
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
2-Acetyl-3,6-difluorobenzoic acid 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
-
Hazardous Material Identification：
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Acetyl-3,6-difluorobenzoic acid Customs Data
- HS CODE：2918300090
- Customs Data：
China Customs Code:
2918300090Overview:
2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). 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:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%
2-Acetyl-3,6-difluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 013004-250mg |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 250mg |
￡99.00 | 2022-03-01 | |
| Fluorochem | 013004-1g |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 1g |
￡197.00 | 2022-03-01 | |
| Fluorochem | 013004-5g |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 5g |
￡591.00 | 2022-03-01 | |
| Alichem | A019096484-5g |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 5g |
$660.00 | 2023-09-02 | |
| TRC | A192850-20mg |
2-Acetyl-3,6-difluorobenzoic Acid |
319457-34-6 | 20mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A192850-40mg |
2-Acetyl-3,6-difluorobenzoic Acid |
319457-34-6 | 40mg |
$ 70.00 | 2022-06-08 | ||
| TRC | A192850-200mg |
2-Acetyl-3,6-difluorobenzoic Acid |
319457-34-6 | 200mg |
$ 295.00 | 2022-06-08 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1436043-1g |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 1g |
￥2884.00 | 2024-08-02 | |
| A2B Chem LLC | AB60895-100mg |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 100mg |
$60.00 | 2024-04-20 | |
| A2B Chem LLC | AB60895-250mg |
2-Acetyl-3,6-difluorobenzoic acid |
319457-34-6 | 98% | 250mg |
$105.00 | 2024-04-20 |
2-Acetyl-3,6-difluorobenzoic acid Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
Additional information on 2-Acetyl-3,6-difluorobenzoic acid
2-Acetyl-3,6-Difluorobenzoic Acid: A Comprehensive Overview
2-Acetyl-3,6-difluorobenzoic acid (CAS No. 319457-34-6) is a versatile organic compound with significant applications in various fields of chemistry and materials science. This compound, characterized by its unique structure featuring an acetyl group and two fluorine atoms at specific positions on the benzoic acid backbone, has garnered attention due to its potential in drug discovery, material synthesis, and chemical research. Recent advancements in synthetic methodologies and characterization techniques have further enhanced our understanding of its properties and applications.
The synthesis of 2-acetyl-3,6-difluorobenzoic acid involves a multi-step process that typically begins with the fluorination of benzoic acid derivatives. Researchers have explored various fluorination strategies, including the use of electrophilic fluorinating agents such as sulfuryl fluoride (SO?F?) and other halogenation techniques. The introduction of the acetyl group is often achieved through acetylation reactions, which can be performed under mild conditions using acetylating agents like acetyl chloride or acetic anhydride. These methods have been optimized to ensure high yields and purity of the final product.
Recent studies have highlighted the importance of 2-acetyl-3,6-difluorobenzoic acid in medicinal chemistry. The compound's structure provides a unique platform for exploring its biological activities. For instance, investigations into its anti-inflammatory and antioxidant properties have shown promising results. The presence of the acetyl group and fluorine atoms contributes to the compound's ability to modulate cellular responses, making it a potential candidate for drug development targeting inflammatory diseases.
In addition to its medicinal applications, 2-acetyl-3,6-difluorobenzoic acid has found utility in materials science. Its ability to form stable metal complexes has been exploited in the development of coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional porosity and stability, making them ideal for gas storage and catalytic applications. Recent research has focused on optimizing the synthesis of such materials by varying the metal ions and reaction conditions.
The physical and chemical properties of 2-acetyl-3,6-difluorobenzoic acid are well-documented. Its melting point is approximately 185°C, and it is soluble in common organic solvents such as dichloromethane and ethyl acetate. The compound's fluorescence properties have also been studied, revealing potential applications in sensing and imaging technologies. Fluorescence spectroscopy has been used to investigate its emission characteristics under various conditions, providing insights into its electronic structure.
From an environmental perspective, the biodegradation of 2-acetyl-3,6-difluorobenzoic acid has been a topic of interest. Studies have shown that under aerobic conditions, the compound undergoes microbial degradation through hydrolysis and oxidation pathways. This information is crucial for assessing its environmental impact and ensuring sustainable practices in its production and use.
In conclusion, 2-acetyl-3,6-difluorobenzoic acid (CAS No. 319457-34-6) stands out as a valuable compound with diverse applications across multiple disciplines. Its unique structure enables a wide range of chemical transformations and functionalizations, making it a valuable tool for researchers in academia and industry alike. As advancements in synthetic chemistry continue to unfold, the potential for new discoveries involving this compound remains vast.
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