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Cas Database |
| Name |
2,5-Difluorobenzoic acid |
EINECS | 221-060-6 |
| CAS No. | 2991-28-8 | Density | 1.432 g/cm3 |
| PSA | 37.30000 | LogP | 1.66300 |
| Solubility | Insoluble in water. | Melting Point |
132-134 °C(lit.) |
| Formula | C7H4F2O2 | Boiling Point | 244.7 °C at 760 mmHg |
| Molecular Weight | 158.104 | Flash Point | 101.8 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2,5-difluorobenzoate;2,5-Difluorobenzoicacid; |
Article Data | 9 |
2,5-Difluorobenzoic acid Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With n-butyllithium 1) hexane, Et2O, 2 min, -78 deg C. 2) ether; Yield given. Multistep reaction; |
Conditions
| Conditions | Yield |
|---|---|
| With sec.-butyllithium 1.) THF, -78 deg C, 0.5 h, 2.) THF, a) -78 deg C, 15 min, b) from -78 deg C to RT; Yield given. Multistep reaction; |
- 2358-29-4
2,3,6-trifluorobenzoic acid
A
- 455-38-9
3-fluorobenzoic acid
B
- 65-85-0
benzoic acid
C
- 2991-28-8
2,5-difluorobenzoic acid
Conditions
| Conditions | Yield |
|---|---|
| With ammonia; sodium at -45℃; for 0.25h; Reduction; Hydrodefluorination; Title compound not separated from byproducts; | A 9 % Spectr. B 9 % Spectr. C 16 % Spectr. |
Conditions
| Conditions | Yield |
|---|---|
| With potassium permanganate Oxidation; |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: KMnO4 View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: BuLi / tetrahydrofuran / -70 °C 1.2: tetrahydrofuran 2.1: 9 percent Spectr. / Zn; NH3 / -45 °C 3.1: 16 percent Spectr. / Na; NH3 / 0.25 h / -45 °C View Scheme | |
| Multi-step reaction with 3 steps 1.1: BuLi / tetrahydrofuran / -70 °C 1.2: tetrahydrofuran 2.1: 12 percent Spectr. / Na; NH3 / 0.25 h / -45 °C 3.1: 16 percent Spectr. / Na; NH3 / 0.25 h / -45 °C View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: BuLi / tetrahydrofuran / -70 °C 1.2: tetrahydrofuran 2.1: 16 percent Spectr. / Na; NH3 / 0.25 h / -45 °C View Scheme |
- 32890-92-9
2,3,4,6-tetrafluorobenzoic acid
- 2991-28-8
2,5-difluorobenzoic acid
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 9 percent Spectr. / Zn; NH3 / -45 °C 2: 16 percent Spectr. / Na; NH3 / 0.25 h / -45 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 12 percent Spectr. / Na; NH3 / 0.25 h / -45 °C 2: 16 percent Spectr. / Na; NH3 / 0.25 h / -45 °C View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| With hydrogenchloride In sodium hypobromide; water |
Conditions
| Conditions | Yield |
|---|---|
| With water In chlorobenzene at 28℃; Equilibrium constant; Further Variations:; Temperatures; |
2,5-Difluorobenzoic acid Chemical Properties
2,5-Difluorobenzoic acid(2991-28-8) is also named as Benzoic acid, 2,5-difluoro-;2,5-Difluorobenzic acid;2-chloro-6-flurobenzyl cyanide;2,5-Difluorobenzoic;2,5-Difluorobenzoic acid 98%;2,5-Difluorobenzoicacid98%,and so on.2,5-Difluorobenzoic acid(2991-28-8) is usually white powder.
CAS: 2991-28-8
Molecular Formula: C7H4F2O2
MW: 158.1
EINECS: 221-060-6
Molecular structure: 
Melting point: 132-134 °C(lit.)
BRN: 973351
2,5-Difluorobenzoic acid Uses
2,5-Difluorobenzoic acid(2991-28-8) is commonly used as the pharmaceutical intermediate.
2,5-Difluorobenzoic acid Safety Profile
Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-37/39
WGK Germany: 3
Hazard Note: Irritant
Risk Statements: 36/37/38
Safety Statements: 26-37/39
WGK Germany: 3
Hazard Note: Irritant
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2,5-Difluorobenzoic acid
