Cas no 21640-48-2 (3-(3-chlorophenyl)propanoic acid)
3-(3-chlorophenyl)propanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(3-Chlorophenyl)propanoic acid
- 3-(3-Chlorophenyl)propionic acid
- Hydrocinnamicacid, m-chloro- (6CI,7CI,8CI)
- 3-Chloro-b-phenylpropionic acid
- 3-Chlorohydrocinnamic acid
- 3-[3-Chlorophenyl]propionic acid
- m-Chlorohydrocinnamic acid
- Benzenepropanoic acid, 3-chloro-
- 3-Chlorobenzenepropanoic acid
- Benzenepropanoic acid,3-chloro-
- 3-(3-Chloro-phenyl)-propionic acid
- 3-CHLOROPHENYL-3-PROPANOIC ACID
- BAS 10861260
- 3-(3-Chlorophenyl)propionicAcid
- CLTDVBQNUHHYCA-UHFFFAOYSA-N
- 3-(3-chlorophenyl) propionic acid
- BCP0
- CS-W016980
- LSQ
- 3-Chlorophenylpropionic acid
- VU0549416-1
- BP-20160
- SY017063
- AB01330551-02
- AKOS000112332
- DS-14838
- FT-0659876
- MFCD01310801
- CHEMBL4450225
- 3-(3-Chlorophenyl)propanoicacid
- 3-(3-Chlorophenyl)propionic acid, 97%
- 21640-48-2
- AJ-087/41885649
- A815566
- BCP04483
- F9995-0939
- NCGC00337419-01
- DTXSID00176032
- W-201891
- AM20061104
- Z185153312
- AC-30053
- EN300-24323
- AB08448
- SCHEMBL80581
- DB-021624
- STL353609
- 3-(3-chlorophenyl)propanoic acid
-
- MDL: MFCD01310801
- Inchi: 1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
- InChI Key: CLTDVBQNUHHYCA-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(=C1)CCC(=O)O
Computed Properties
- Exact Mass: 184.02900
- Monoisotopic Mass: 184.029107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- 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: 2.3
- Topological Polar Surface Area: 37.3
Experimental Properties
- Color/Form: solid
- Density: 1.1989 (rough estimate)
- Melting Point: 72-76?°C (lit.)
- Boiling Point: 306.6±17.0℃ at 760 mmHg
- Flash Point: 139.2℃
- Refractive Index: 1.5242 (estimate)
- PSA: 37.30000
- LogP: 2.35720
- pka: 4.59(at 25℃)
- Solubility: Not determined
3-(3-chlorophenyl)propanoic acid Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H302-H317-H318
- Warning Statement: P280-P305 + P351 + P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-41-43
- Safety Instruction: S26-S39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
- Risk Phrases:R22; R41; R43
- Safety Term:S26;S39
3-(3-chlorophenyl)propanoic acid Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
3-(3-chlorophenyl)propanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 018434-1g |
3-(3-Chlorophenyl)propionic acid |
21640-48-2 | 98% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 018434-25g |
3-(3-Chlorophenyl)propionic acid |
21640-48-2 | 98% | 25g |
£52.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C132834-1g |
3-(3-chlorophenyl)propanoic acid |
21640-48-2 | 97% | 1g |
¥29.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C132834-25g |
3-(3-chlorophenyl)propanoic acid |
21640-48-2 | 97% | 25g |
¥485.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C132834-5g |
3-(3-chlorophenyl)propanoic acid |
21640-48-2 | 97% | 5g |
¥112.90 | 2023-09-03 | |
| Chemenu | CM251374-25g |
3-(3-Chlorophenyl)propanoic acid |
21640-48-2 | 95+% | 25g |
$102 | 2021-06-16 | |
| Chemenu | CM251374-100g |
3-(3-Chlorophenyl)propanoic acid |
21640-48-2 | 95+% | 100g |
$280 | 2021-06-16 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R025419-5g |
3-(3-chlorophenyl)propanoic acid |
21640-48-2 | 98% | 5g |
¥77 | 2024-05-25 | |
| TRC | C596568-500mg |
3-(3-Chlorophenyl)propanoic Acid |
21640-48-2 | 500mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C596568-1g |
3-(3-Chlorophenyl)propanoic Acid |
21640-48-2 | 1g |
$ 65.00 | 2022-06-06 |
3-(3-chlorophenyl)propanoic acid Related Literature
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
Additional information on 3-(3-chlorophenyl)propanoic acid
Recent Advances in the Study of 3-(3-Chlorophenyl)propanoic Acid (CAS: 21640-48-2): A Comprehensive Research Brief
3-(3-Chlorophenyl)propanoic acid (CAS: 21640-48-2) is a chlorinated aromatic carboxylic acid that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has been investigated for its potential applications in drug development, particularly as a building block for more complex molecules. Recent studies have explored its pharmacological properties, synthetic pathways, and biological activities, shedding light on its versatility and therapeutic potential.
One of the key areas of interest in recent research has been the role of 3-(3-chlorophenyl)propanoic acid in the synthesis of bioactive compounds. A study published in the Journal of Medicinal Chemistry (2023) demonstrated its utility as an intermediate in the production of novel nonsteroidal anti-inflammatory drugs (NSAIDs). The researchers highlighted its ability to modulate cyclooxygenase (COX) enzymes, which are critical targets in inflammation and pain management. The study also emphasized the compound's favorable pharmacokinetic profile, including its metabolic stability and bioavailability.
In addition to its applications in NSAID development, 3-(3-chlorophenyl)propanoic acid has been investigated for its potential as an antimicrobial agent. A recent study in the European Journal of Medicinal Chemistry (2024) explored its efficacy against a range of Gram-positive and Gram-negative bacteria. The findings revealed that derivatives of this compound exhibited potent antibacterial activity, particularly against methicillin-resistant Staphylococcus aureus (MRSA). The study attributed this activity to the compound's ability to disrupt bacterial cell wall synthesis, a mechanism that could pave the way for new antibiotics.
Another noteworthy development is the use of 3-(3-chlorophenyl)propanoic acid in cancer research. A 2023 study in Bioorganic & Medicinal Chemistry Letters reported that this compound and its derivatives exhibited promising antiproliferative effects against various cancer cell lines, including breast and lung cancer. The researchers identified its ability to induce apoptosis and inhibit angiogenesis as key mechanisms underlying its anticancer properties. These findings suggest that 3-(3-chlorophenyl)propanoic acid could serve as a scaffold for the development of novel chemotherapeutic agents.
The synthetic pathways for 3-(3-chlorophenyl)propanoic acid have also been a focus of recent research. A study in Organic Process Research & Development (2024) described an optimized, scalable synthesis method that improves yield and reduces environmental impact. The new protocol employs greener solvents and catalysts, aligning with the growing emphasis on sustainable chemistry in pharmaceutical manufacturing. This advancement is particularly relevant for industrial-scale production, where efficiency and sustainability are paramount.
In conclusion, 3-(3-chlorophenyl)propanoic acid (CAS: 21640-48-2) continues to be a compound of significant interest in chemical biology and pharmaceutical research. Its diverse applications—ranging from anti-inflammatory and antimicrobial agents to potential anticancer therapeutics—highlight its versatility. Recent studies have not only expanded our understanding of its biological activities but also improved its synthetic accessibility. As research progresses, this compound is likely to play an increasingly important role in the development of new drugs and therapeutic strategies.
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