Cas no 2365-85-7 (3-Amino-4-fluorobenzoic acid)
3-Amino-4-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Amino-4-fluorobenzoic acid
- 3-Amino-4-fluor-benzoesaeure
- 3-amino-4-fluoro-benzoic acid
- 4-fluoro-3-aminobenzoic acid
- 5-Carboxy-2-fluoroaniline
- ethyl 4-fluoro-3-aminobenzoate
- NSC 127014
- 3-Amino-4-fluorobenzoicacid
- Benzoic acid, 3-amino-4-fluoro-
- NSC127014
- PubChem4690
- KSC207O2P
- Jsp004736
- Benzoicacid, 3-amino-4-fluoro-
- BBL028248
- SBB063433
- CK1082
- STL247958
- C
- AC-3883
- FT-0634225
- DTXSID50178329
- 3-Amino-4-fluorobenzoic acid, AldrichCPR
- W-107389
- EN300-29498
- NSC-127014
- EINECS 219-122-2
- CS-W016253
- AKOS001430836
- PS-8864
- DS-1637
- SY009032
- 2365-85-7
- REU8GMY5DP
- AM61423
- InChI=1/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
- Z283856672
- UNII-REU8GMY5DP
- WFSPEVFSRUTRCN-UHFFFAOYSA-N
- WFSPEVFSRUTRCN-UHFFFAOYSA-
- BB 0257431
- SCHEMBL397973
- MFCD00130055
- NS00048761
- SB76729
- inverted exclamation markY97.0%(T)
- DTXCID30100820
- DB-023840
- A1972
- 219-122-2
-
- MDL: MFCD00130055
- Inchi: 1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
- InChI Key: WFSPEVFSRUTRCN-UHFFFAOYSA-N
- SMILES: FC1C=CC(C(=O)O)=CC=1N
Computed Properties
- Exact Mass: 155.03800
- Monoisotopic Mass: 155.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1
- Topological Polar Surface Area: 63.3
Experimental Properties
- Color/Form: Not determined
- Density: 1.43
- Melting Point: 182.0 to 186.0 deg-C
- Boiling Point: 335.5℃ at 760 mmHg
- Flash Point: 156.7℃
- Refractive Index: 1.336
- PSA: 63.32000
- LogP: 1.68730
- Solubility: Not determined
3-Amino-4-fluorobenzoic acid Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Category Code: 22
-
Hazardous Material Identification:
- HazardClass:IRRITANT
3-Amino-4-fluorobenzoic acid Customs Data
- HS CODE:2922499990
- Customs Data:
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
3-Amino-4-fluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A133076-100g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | ≥97.0%(T) | 100g |
¥1226.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A133076-1g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | ≥97.0%(T) | 1g |
¥29.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A133076-25g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | ≥97.0%(T) | 25g |
¥464.90 | 2023-09-04 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | A133076-5g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | ≥97.0%(T) | 5g |
¥116.90 | 2023-09-04 | |
| Fluorochem | 045835-1g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | 97% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 045835-10g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | 97% | 10g |
£25.00 | 2022-03-01 | |
| Fluorochem | 045835-25g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | 97% | 25g |
£45.00 | 2022-03-01 | |
| Fluorochem | 045835-100g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | 97% | 100g |
£168.00 | 2022-03-01 | |
| Chemenu | CM155845-100g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | 95+% | 100g |
$211 | 2021-06-17 | |
| Chemenu | CM155845-500g |
3-Amino-4-fluorobenzoic acid |
2365-85-7 | 95+% | 500g |
$842 | 2021-06-17 |
3-Amino-4-fluorobenzoic acid Suppliers
3-Amino-4-fluorobenzoic acid Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
Additional information on 3-Amino-4-fluorobenzoic acid
Recent Advances in the Application of 3-Amino-4-fluorobenzoic Acid (CAS: 2365-85-7) in Chemical Biology and Pharmaceutical Research
3-Amino-4-fluorobenzoic acid (CAS: 2365-85-7) is a fluorinated aromatic compound that has garnered significant attention in chemical biology and pharmaceutical research due to its versatile applications as a building block for drug discovery and material science. Recent studies have explored its utility in the synthesis of novel bioactive molecules, particularly in the development of kinase inhibitors and antimicrobial agents. This research brief highlights the latest findings and emerging trends associated with this compound.
One of the most notable advancements involves the incorporation of 3-amino-4-fluorobenzoic acid into the design of small-molecule inhibitors targeting protein kinases. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy as a key intermediate in the synthesis of selective EGFR (epidermal growth factor receptor) inhibitors, which show promise in treating non-small cell lung cancer. The fluorine atom at the 4-position enhances binding affinity by forming favorable interactions with hydrophobic pockets in the kinase domain, while the amino group facilitates further derivatization.
In antimicrobial research, derivatives of 3-amino-4-fluorobenzoic acid have exhibited potent activity against drug-resistant bacterial strains. A team from the University of Cambridge reported in ACS Infectious Diseases (2024) that sulfonamide derivatives of this compound effectively inhibit dihydropteroate synthase (DHPS), a critical enzyme in folate biosynthesis. The fluorinated aromatic core was found to improve membrane permeability, addressing a common challenge in antibiotic development.
Beyond therapeutic applications, this compound has also been investigated for its role in materials science. Researchers at MIT recently utilized 3-amino-4-fluorobenzoic acid as a monomer for constructing fluorinated polyamides with exceptional thermal stability and low dielectric constants, making them suitable for high-performance electronic coatings (Advanced Materials, 2024). The electron-withdrawing fluorine atom was crucial in tuning the polymer’s electronic properties.
Despite these advances, challenges remain in optimizing the synthetic routes for 3-amino-4-fluorobenzoic acid to improve yield and scalability. A 2024 Organic Process Research & Development paper proposed a novel catalytic amination protocol using palladium nanoparticles, reducing byproducts and reaction time compared to traditional methods. This innovation could significantly lower production costs for industrial-scale applications.
In conclusion, 3-amino-4-fluorobenzoic acid (CAS: 2365-85-7) continues to be a valuable scaffold in multidisciplinary research. Its unique chemical properties enable diverse applications ranging from precision medicine to advanced materials, with recent studies underscoring its potential in addressing pressing challenges in oncology, antimicrobial resistance, and materials engineering. Future research directions may focus on expanding its utility in covalent inhibitor design and biodegradable polymer development.
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