2,6-DIFLUORO-3-NITROBENZOIC ACID
- Product Name
- 2,6-DIFLUORO-3-NITROBENZOIC ACID
- CAS No.
- 83141-10-0
- Chemical Name
- 2,6-DIFLUORO-3-NITROBENZOIC ACID
- Synonyms
- RARECHEM AL BO 0441;2,6-Difluro-3-nitrobenzoic acid;2,6-DIFLUORO-3-NITROBENZOIC ACID;2,6-Difluoro-3-nitrobenzoicacid98%;3-Carboxy-2,4-difluoronitrobenzene;Benzoic acid, 2,6-difluoro-3-nitro-;2,6-Difluoro-3-nitrobenzoic acid 98%;2,6-DIFLUORO-3-NITROBENZOIC ACID ISO 9001:2015 REACH;Benzoic acid,2,6-difluoro-3-nitro- (Related Reference)
- CBNumber
- CB0676032
- Molecular Formula
- C7H3F2NO4
- Formula Weight
- 203.1
- MOL File
- 83141-10-0.mol
2,6-DIFLUORO-3-NITROBENZOIC ACID Property
- Melting point:
- 92-96°C
- Boiling point:
- 335.5±42.0 °C(Predicted)
- Density
- 1.661
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.48±0.29(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C7H3F2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)
- InChIKey
- PDDHSNODMFIIRV-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=C(F)C=CC([N+]([O-])=O)=C1F
- CAS DataBase Reference
- 83141-10-0(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 36/37/38
- Safety Statements
- 26-36/37/39-24/25
- Hazard Note
- Irritant/Keep Cold
- HazardClass
- IRRITANT
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- D5138
- Product name
- 2,6-Difluoro-3-nitrobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $66
- Updated
- 2025/07/31
- Product number
- D5138
- Product name
- 2,6-Difluoro-3-nitrobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $260
- Updated
- 2025/07/31
- Product number
- D447138
- Product name
- 2,6-Difluoro-3-nitrobenzoic Acid
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
- Product number
- D447138
- Product name
- 2,6-Difluoro-3-nitrobenzoic Acid
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- D447138
- Product name
- 2,6-Difluoro-3-nitrobenzoic Acid
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
2,6-DIFLUORO-3-NITROBENZOIC ACID Chemical Properties,Usage,Production
Chemical Properties
Light yellow solid
Uses
2,6-Difluoro-3-nitrobenzoic acid is a benzoic acid derivative that contains reactive substituent fluorine atoms and nitro groups in its molecular structure. The substance is mainly used as a reagent for organic synthesis or as a component of pharmaceutical intermediates. It is used in the synthesis of B-Raf kinase inhibitors, such as vemurafenib, which causes programmed cell death (apoptosis) in melanoma cell lines. In addition, it is used in the synthesis of fluoroquinolone antibacterial agents.
Synthesis
385-00-2
83141-10-0
General procedure for the synthesis of 2,6-difluoro-3-nitrobenzoic acid from 2,6-difluorobenzoic acid: Concentrated sulfuric acid (5 mL) was slowly added to 2,6-difluorobenzoic acid (1.4 g, 9 mmol) at 0 °C, followed by gradual addition of potassium nitrate (1 g, 9.9 mmol). After warming the reaction mixture to room temperature, stirring was continued for 24 hours. After completion of the reaction, ice water was poured into the reaction mixture and extracted with ethyl acetate. The organic layer was dried with anhydrous magnesium sulfate and subsequently concentrated under reduced pressure. The solid in the concentrated filtrate was washed with ether and dried to give 2,6-difluoro-3-nitrobenzoic acid (1.3 g, yield: 71%). The product was characterized by 1H NMR (400 MHz, DMSO-d6): δ 8.37 (td, J = 9.2,5.6 Hz, 1H), 7.46 (t, J = 9.2 Hz, 1H).
References
[1] Bioorganic and Medicinal Chemistry, 1999, vol. 7, # 11, p. 2647 - 2666
[2] Chemical and Pharmaceutical Bulletin, 1982, vol. 30, # 10, p. 3530 - 3543
[3] Journal of Medicinal Chemistry, 2003, vol. 46, # 10, p. 1905 - 1917
[4] Synlett, 2012, vol. 23, # 7, p. 1039 - 1042
[5] Patent: EP2647637, 2013, A2. Location in patent: Paragraph 0055
2,6-DIFLUORO-3-NITROBENZOIC ACID Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2,6-DIFLUORO-3-NITROBENZOIC ACID manufacturers
- Product
- 2,6-DIFLUORO-3-NITROBENZOIC ACID 83141-10-0
- Price
- US $100.00-1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2023-12-26
- Product
- 2,6-DIFLUORO-3-NITROBENZOIC ACID 83141-10-0
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11
- Product
- 2,6-Difluoro-3-nitrobenzoic acid 83141-10-0
- Price
- US $0.00-0.00/Kg
- Min. Order
- 1KG
- Purity
- 99.0%
- Supply Ability
- 100 tons
- Release date
- 2020-01-10