Cas no 1042815-12-2 (3-(3-fluorophenyl)butanoic acid)
3-(3-fluorophenyl)butanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(3-fluorophenyl)butanoic acid
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- Inchi: 1S/C10H11FO2/c1-7(5-10(12)13)8-3-2-4-9(11)6-8/h2-4,6-7H,5H2,1H3,(H,12,13)
- InChI Key: CVFYWUHOFYTCNJ-UHFFFAOYSA-N
- SMILES: CC(CC(=O)O)C1C=C(F)C=CC=1
Computed Properties
- Exact Mass: 182.07430775g/mol
- Monoisotopic Mass: 182.07430775g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 271.9±15.0 °C at 760 mmHg
- Flash Point: 118.3±20.4 °C
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
3-(3-fluorophenyl)butanoic 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
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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
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(3-fluorophenyl)butanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B436790-10mg |
3-(3-Fluorophenyl)butanoic Acid |
1042815-12-2 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B436790-50mg |
3-(3-Fluorophenyl)butanoic Acid |
1042815-12-2 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B436790-100mg |
3-(3-Fluorophenyl)butanoic Acid |
1042815-12-2 | 100mg |
$ 250.00 | 2022-06-07 | ||
| A2B Chem LLC | AV70586-2.5g |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 2.5g |
$1301.00 | 2024-04-20 | |
| A2B Chem LLC | AV70586-5g |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 5g |
$1908.00 | 2024-04-20 | |
| A2B Chem LLC | AV70586-10g |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 10g |
$2812.00 | 2024-04-20 | |
| A2B Chem LLC | AV70586-50mg |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 50mg |
$178.00 | 2024-04-20 | |
| A2B Chem LLC | AV70586-100mg |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 100mg |
$248.00 | 2024-04-20 | |
| A2B Chem LLC | AV70586-250mg |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 250mg |
$340.00 | 2024-04-20 | |
| A2B Chem LLC | AV70586-500mg |
3-(3-fluorophenyl)butanoic acid |
1042815-12-2 | 95% | 500mg |
$541.00 | 2024-04-20 |
3-(3-fluorophenyl)butanoic acid Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Additional information on 3-(3-fluorophenyl)butanoic acid
Comprehensive Overview of 3-(3-fluorophenyl)butanoic acid (CAS No. 1042815-12-2): Properties, Applications, and Industry Insights
3-(3-fluorophenyl)butanoic acid (CAS No. 1042815-12-2) is a fluorinated organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties. The presence of a fluorine atom on the phenyl ring enhances its metabolic stability and bioavailability, making it a valuable intermediate in drug discovery. Researchers and industry professionals frequently search for terms like "fluorophenyl derivatives", "butanoic acid applications", and "CAS 1042815-12-2 uses", reflecting the compound's relevance in modern chemistry.
The compound's molecular formula, C10H11FO2, and its carboxylic acid functional group contribute to its versatility in synthetic pathways. Recent studies highlight its role in developing non-steroidal anti-inflammatory drugs (NSAIDs) and central nervous system (CNS) therapeutics, aligning with the growing demand for precision medicine. Searches for "fluorinated drug intermediates" and "phenylbutanoic acid synthesis" underscore its industrial importance.
From an environmental perspective, 3-(3-fluorophenyl)butanoic acid is subject to scrutiny under green chemistry principles. Innovations in catalytic fluorination and solvent-free reactions have optimized its production, reducing waste and energy consumption. This aligns with trending queries like "sustainable fluorochemicals" and "eco-friendly synthesis methods", which dominate academic and industrial discussions.
Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are critical for characterizing CAS No. 1042815-12-2. The compound's melting point (≈85–87°C) and logP value (indicating moderate lipophilicity) are frequently cited in patent literature, addressing common search terms like "fluorophenylbutanoic acid solubility" and "CAS 1042815-12-2 purity analysis".
In the agrochemical sector, derivatives of 3-(3-fluorophenyl)butanoic acid are explored for their potential as plant growth regulators. This application resonates with searches for "fluorine in agriculture" and "novel agrochemical intermediates", reflecting the compound's cross-disciplinary utility. Regulatory compliance, particularly concerning REACH and FDA guidelines, is another hot topic tied to its commercialization.
Future research directions may focus on structure-activity relationships (SAR) to expand its therapeutic applications. The rise of AI-driven drug design has intensified interest in fluorinated building blocks like CAS No. 1042815-12-2, as seen in searches for "computational chemistry fluorophenyl compounds". Collaborative efforts between academia and industry continue to unlock its full potential.
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