| Identification | More | [Name]
2,3-Difluorobenzoic acid | [CAS]
4519-39-5 | [Synonyms]
2,3-DIFLUOROBENZOIC ACID
BUTTPARK 45\01-40
CHEMPACIFIC 39931
RARECHEM AL BO 0251
TIMTEC-BB SBB006679
2,3-Difluorobenzoicacid,98%
2,3-Difluorobenzoic
2,3-Difluorobenzoic acid 98%
2,3-DIFLUOROBENZONIC ACID | [Molecular Formula]
C7H4F2O2 | [MDL Number]
MFCD00010267 | [Molecular Weight]
158.1 | [MOL File]
4519-39-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white to off-white powder | [Melting point ]
163-165 °C (lit.) | [Boiling point ]
248.1±20.0 °C(Predicted) | [density ]
1.3486 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
2.93±0.10(Predicted) | [color ]
White to Almost white | [Water Solubility ]
slightly soluble | [BRN ]
2640781 | [InChI]
InChI=1S/C7H4F2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) | [InChIKey]
JLZVIWSFUPLSOR-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=CC(F)=C1F | [CAS DataBase Reference]
4519-39-5(CAS DataBase Reference) | [EPA Substance Registry System]
Benzoic acid, 2,3-difluoro- (4519-39-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R37/38:Irritating to respiratory system and skin .
R36:Irritating to the eyes. | [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 ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
white to off-white powder | [Uses]
2,3-Difluorobenzoic acid has been used as a tracer for determining the extent of recovery of materials injected into oil wells. | [General Description]
2,3-Difluorobenzoic acid forms dimers that are stabilized by hydrogen bonds. | [Synthesis]
Carbon dioxide gas was passed into a reaction solution containing lithium 2,3-difluorobenzene (CAS:126163-64-2) at a temperature of -65 to -60 °C, ensuring that the molar ratio of carbon dioxide to lithium 2,3-difluorobenzene was 1.5:1. The reaction was maintained at this temperature for 4 hours. Upon completion of the reaction, water was added for hydrolysis at a mass ratio of water to reaction solution of 1.5:1 and the hydrolysis temperature was controlled at 15-20 °C. Subsequently, the organic solvent was removed by heating distillation and the reaction mixture was concentrated. The temperature was adjusted to 20-22 °C and the reaction mixture was acidified with a 10% hydrochloric acid solution with a molar ratio of hydrochloric acid to lithium 2,3-difluorobenzene of 2:1. After acidification, the reaction was kept for 3 hours. The reaction mixture was cooled to 0°C and the crystals formed were collected by diafiltration. The crystals were washed with a buffer solution of pH=2 and subsequently dried to give 2,3-difluorobenzoic acid. The purity of the final product was 99.5% and the yield was 90%. | [References]
[1] Patent: CN108658759, 2018, A. Location in patent: Paragraph 0032; 0037 |
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