Benzoylformic acid
- CAS No.
- 611-73-4
- Chemical Name:
- Benzoylformic acid
- Synonyms
- 2-Oxo-2-phenylacetic acid;PHENYLGLYOXYLIC ACID;Phenylglyoxalic acid;Caa 0869;Lfc 1849;Benzoylformate;alpha-Ketophenyl;Phenylglyoxylate;Acetophenone acid;BENZOYLFORMIC ACID
- CBNumber:
- CB1126347
- Molecular Formula:
- C8H6O3
- Molecular Weight:
- 150.13
- MOL File:
- 611-73-4.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/15 19:00:21
| Melting point | 62-65 °C(lit.) |
|---|---|
| Boiling point | 84 °C0.1 mm Hg |
| Density | 1.38 |
| refractive index | 1.4500 (estimate) |
| Flash point | 147-151°C/12mm |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | methanol: 0.1 g/mL, clear |
| pka | 2.15±0.54(Predicted) |
| form | Adhering Crystals, Crystalline Powder or Chunks |
| color | White to light yellow |
| Water Solubility | very faint turbidity |
| BRN | 606718 |
| InChIKey | FAQJJMHZNSSFSM-UHFFFAOYSA-N |
| CAS DataBase Reference | 611-73-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoylformic acid(611-73-4) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-28-36-28A-24-22-37 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DA1480000 | |||||||||
| HS Code | 29183000 | |||||||||
| Toxicity | LD50 ivn-mus: 180 mg/kg CSLNX* NX#04110 | |||||||||
| NFPA 704 |
|
Benzoylformic acid price More Price(8)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | B13055 | Phenylglyoxylic acid 97% | 611-73-4 | 5G | ₹2619.65 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | B13055 | Phenylglyoxylic acid 97% | 611-73-4 | 25G | ₹8454.33 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | B13055 | Phenylglyoxylic acid 97% | 611-73-4 | 100G | ₹29714.63 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 78610 | Phenylglyoxylic acid purum, ≥98.0% (T) | 611-73-4 | 10G | ₹6375.93 | 2022-06-14 | Buy |
| ALFA India | ALF-L00648-14 | Phenylglyoxylic acid, 98% | 611-73-4 | 25g | ₹8366 | 2022-05-26 | Buy |
Benzoylformic acid Chemical Properties,Uses,Production
Chemical Properties
white to light yellow adhering crystals,
Uses
Phenylglyoxylic Acid (cas# 611-73-4) is a compound useful in organic synthesis.
Definition
ChEBI: A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group.
Safety Profile
A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
Synthesis
The synthesis of Benzoylformic acid is as follows:Acetophenone (120 g, 1 mol) was dissolved in 2000 ml of pyridine, and 165 g (1.5 mol) of selenium dioxide was added under stirring.The mixture was refluxed for 3 hours and left to cool overnight.Filter through celite, wash the filter cake with xylene, and combine the filtrate and washings with azeotropic evaporation.The evaporated residue was dissolved in 1 L of ethyl acetate and washed with 300 ml of 10% dilute hydrochloric acid.The organic layer was washed with 400 ml of 5% sodium hydroxide solution, and the washed aqueous layer was adjusted to pH 2-3 with 10% dilute hydrochloric acid.A white solid precipitates, is filtered, the filter cake is washed with water, and dried to obtain 120 g of a white solid.Yield: 87%, purity: 99.2%.
Purification Methods
If the sample is oily, then it may contain H2O. In this case dry it in a vacuum desiccator over P2O5 or KOH until crisp. For further purification dissolve 5.5g in hot CCl4 (750mL), add charcoal (2g, this is necessary otherwise the acid may separate as an oil), filter, cool in ice-water until crystallisation is complete. Filter the acid off, and the solvent on the crystals is removed by keeping the acid (4.5g) in a vacuum desiccator for 2 days. Slightly yellow crystals are obtained. It can be recrystallised also from *C6H6/pet ether, and can be distilled in a vacuum. The acid is estimated by titration with standard NaOH. The phenylhydrazone is recrystallised from EtOH, m 163-164o, and the semicarbazone acid has m 259o(dec) (from EtOH). The methyl ester distils at 137o/14mm, 110-111o/2mm, n 20 1.5850. [Baert & Kates J Am Chem Soc 67 1482 1945, Schaffer & Corey J Org Chem 24 1825 1959, Beilstein 10 H 654, 10 IV 2737.]
Benzoylformic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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