| Identification | More | [Name]
2,6-Dichloro-5-fluoronicotinic acid | [CAS]
82671-06-5 | [Synonyms]
2,6-DICHLORO-5-FLUORO-3-PYRIDINECARBOXYLIC ACID
2,6-DICHLORO-5-FLUORONICOTINIC ACID
2,6-DICHLORO-5-FLUOROPYRIDINE-3-CARBOXYLIC ACID
RARECHEM AL BO 0975
TIMTEC-BB SBB003450
2,6-Dichloro-5-Fluoro-3-Pyridinecarboxlic Acid
2,6-Dichloro-5-fluoronictonic acid
2,6-Dichloro-5-Fluoronicotinic
2,6-Dichloro-5-fluoronicotinic acid 97%
2,6-Dichloro-5-fluoronicotinicacid97%
2,6-Dichlor-5-fluor-3-pyridincarbonsure | [EINECS(EC#)]
628-094-4 | [Molecular Formula]
C6H2Cl2FNO2 | [MDL Number]
MFCD00799517 | [Molecular Weight]
209.99 | [MOL File]
82671-06-5.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to beige fine crystalline powder | [Melting point ]
152-155 °C (lit.) | [Boiling point ]
247°C (rough estimate) | [density ]
1.6207 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
1.38±0.32(Predicted) | [color ]
White to Yellow to Orange | [Detection Methods]
HPLC | [BRN ]
4311035 | [InChI]
InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12) | [InChIKey]
LTDGKGCHRNNCAC-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC(Cl)=C(F)C=C1C(O)=O | [CAS DataBase Reference]
82671-06-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
1
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29333990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow to beige fine crystalline powder | [Uses]
2,6-Dichloro-5-fluoronicotinic Acid is a useful reagent for the modulation of protein-?protein interactions to learn about the mechanisms in amyloid assembly. | [General Description]
2,6-Dichloro-5-fluoropyridine-3-carboxylic acid is a halogenated heterocyclic compound. Its density has been reported to be 1.6207g/cm3 at 25°C. | [Synthesis]
The general procedure for the synthesis of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid from ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate is as follows:
Example 1:
1. ethyl 2,6-dichloro-5-fluoropyridine-3-carboxylate (20 g, 84 mmol) was dissolved in a mixture of 40 mL of trifluoroacetic acid and 40 mL of 7.5N hydrochloric acid.
2. The mixture was heated to reflux and kept reacting for 24 hours.
3. Upon completion of the reaction, the solution was cooled and the trifluoroacetic acid was removed by evaporation under reduced pressure.
4. After cooling to room temperature, 100 mL of water was added, at which point a white precipitate formed in the solution.
5. The precipitate was collected by filtration, washed with hexane, and dried to give 12.91 g (73.2% yield) of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid, with a melting point of 153-154 °C. The reaction was completed with the addition of 100 mL of water. | [References]
[1] Journal of Medicinal Chemistry, 1986, vol. 29, # 11, p. 2364 - 2369
[2] Patent: EP302372, 1989, A1
[3] Patent: US2014/73631, 2014, A1. Location in patent: Paragraph 0128; 0129 |
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