- 3-FLUORO-5-NITROBENZOIC ACID
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- $100.00 / 1KG
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2023-12-24
- CAS:14027-75-9
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
- 3-FLUORO-5-NITROBENZOIC ACID
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- $15.00 / 1KG
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2021-08-12
- CAS:14027-75-9
- Min. Order: 1KG
- Purity: 99%+ HPLC
- Supply Ability: Monthly supply of 1 ton
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| | 3-FLUORO-5-NITROBENZOIC ACID Basic information |
| Product Name: | 3-FLUORO-5-NITROBENZOIC ACID | | Synonyms: | 3-FLUORO-5-NITROBENZOIC ACID;3-Fluoro-5-nitrobenzoic acid ,98%;Benzoic acid, 3-fluoro-5-nitro-;3-Fluoro-5-nitrobenzoicacid,97%;3-Fluoro-5-NitrobenzoicAci;3-FLUORO-5-NITROBENZOIC ACID ISO 9001：2015 REACH | | CAS: | 14027-75-9 | | MF: | C7H4FNO4 | | MW: | 185.11 | | EINECS: | | | Product Categories: | Fluorine series | | Mol File: | 14027-75-9.mol |  |
| | 3-FLUORO-5-NITROBENZOIC ACID Chemical Properties |
| Melting point | 125°C | | Boiling point | 341.2±27.0 °C(Predicted) | | density | 1.568±0.06 g/cm3(Predicted) | | storage temp. | Sealed in dry,Room Temperature | | pka | 3.14±0.10(Predicted) | | form | Solid | | Appearance | Off-white to light yellow Solid | | InChI | InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11) | | InChIKey | VIPUIECMSDQUIK-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC([N+]([O-])=O)=CC(F)=C1 | | CAS DataBase Reference | 14027-75-9(CAS DataBase Reference) |
| | 3-FLUORO-5-NITROBENZOIC ACID Usage And Synthesis |
| Uses | 3-fluoro-5-nitrobenzoic acid is an industrial chemical with a variety of uses. It is used as an intermediate in the production of other chemicals and pharmaceuticals. 3-Fluoro-5-nitrobenzoic acid can be activated to form the corresponding sodium salt, which has been used as a reagent for organic synthesis. This chemical can also be used to produce n-oxides, such as phenoxides and nitrophenols. 3-Fluoro-5-nitrobenzoic acid is also used to synthesize industrial chemicals, including chlorides and benzene derivatives. | | Synthesis | An acetonitrile (50 mL) slurry of nitrosonium tetrafluoroborate (3.53 g, 30.2 mM) was cooled in an ice bath under argon protection and stirred vigorously. Subsequently, 3-amino-5-nitrobenzoic acid (5.0 g, 27.5 mM) was added in three batches. When the addition was complete, the reaction mixture was gradually warmed to room temperature and stirred continuously for 48 hours. Upon completion of the reaction, 1,2-dichlorobenzene (50 mL) was added and the acetonitrile was removed by distillation under reduced pressure. Subsequently, the mixture was heated to 170°C and maintained for 30 minutes until the gas stopped escaping. After cooling, the reaction mixture was poured into dichloromethane (200 mL) and extracted with NaHCO3 solution. The aqueous phase was backwashed with dichloromethane, acidified with 2 M hydrochloric acid, and then the organic phase was extracted with ethyl acetate (2 x 100 mL). The organic layers were combined, washed with brine and dried with MgSO4. The crude product was purified by silica gel column chromatography using a gradient elution from dichloromethane/acetic acid (99:1) to dichloromethane/isopropanol/acetic acid (80:20:1), resulting in 3-fluoro-5-nitrobenzoic acid (3.26 g, 64% yield). The NMR hydrogen spectrum (DMSO-d6) data were as follows: δ 8.14 (dm, 1H); δ 8.37 (dt, 1H); δ 8.46 (m, 1H). | | References | [1] Patent: US5478820, 1995, A |
| | 3-FLUORO-5-NITROBENZOIC ACID Preparation Products And Raw materials |
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