Cas no 492444-05-0 (6-fluoro-2,3-dihydroxybenzoic acid)
6-Fluoro-2,3-dihydroxybenzoic acid is a fluorinated dihydroxybenzoic acid derivative with potential applications in pharmaceutical and chemical synthesis. Its key structural features include a fluorine substituent at the 6-position and two hydroxyl groups at the 2- and 3-positions, which enhance its reactivity and utility as an intermediate in organic synthesis. The compound’s fluorine moiety can improve metabolic stability and binding affinity in drug development, while the dihydroxybenzoic acid scaffold offers versatility for further functionalization. This product is suitable for research in medicinal chemistry, particularly in the design of enzyme inhibitors or bioactive molecules. High purity and well-defined chemical properties ensure reproducibility in experimental applications.
492444-05-0 structure
Product Name:6-fluoro-2,3-dihydroxybenzoic acid
CAS No:492444-05-0
MF:C7H5FO4
MW:172.110605955124
CID:324556
PubChem ID:17980574
Update Time:2025-05-28
6-fluoro-2,3-dihydroxybenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 6-fluoro-2,3-dihydroxy-
- 6-FLUORO-2,3-DIHYDROXYBENZOIC ACID
- Benzoicacid,6-fluoro-2,3-dihydroxy
- MFCD09038124
- EN300-173852
- SCHEMBL186132
- AC-27547
- Z1198184434
- 492444-05-0
- 6-Fluoro-2,3-dihydroxybenzoicacid
- AS-53713
- AKOS006330776
- P16935
- DTXSID80591906
- 6-fluoro-2,3-dihydroxybenzoic acid
-
- Inchi： 1S/C7H5FO4/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,9-10H,(H,11,12)
- InChI Key： LDVNZXZKWHFOMJ-UHFFFAOYSA-N
- SMILES： FC1=CC=C(C(=C1C(=O)O)O)O
Computed Properties
- Exact Mass: 172.01700
- Monoisotopic Mass: 172.01718680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 1.5
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- Density: 1.670
- Melting Point: Not available
- Boiling Point: 377 oC
- Flash Point: 182 oC
- PSA: 77.76000
- LogP: 0.93510
- Vapor Pressure: Not available
6-fluoro-2,3-dihydroxybenzoic 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
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
6-fluoro-2,3-dihydroxybenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B440688-10mg |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B440688-50mg |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B440688-100mg |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 100mg |
$ 230.00 | 2022-06-07 | ||
| Enamine | EN300-173852-0.05g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 0.05g |
$97.0 | 2025-02-19 | |
| Enamine | EN300-173852-0.1g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 0.1g |
$144.0 | 2025-02-19 | |
| Enamine | EN300-173852-0.25g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 0.25g |
$206.0 | 2025-02-19 | |
| Enamine | EN300-173852-0.5g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 0.5g |
$391.0 | 2025-02-19 | |
| Enamine | EN300-173852-1.0g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 1.0g |
$513.0 | 2025-02-19 | |
| Enamine | EN300-173852-2.5g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 2.5g |
$1008.0 | 2025-02-19 | |
| Enamine | EN300-173852-5.0g |
6-fluoro-2,3-dihydroxybenzoic acid |
492444-05-0 | 95.0% | 5.0g |
$1488.0 | 2025-02-19 |
6-fluoro-2,3-dihydroxybenzoic acid Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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