Phenylmalonic acid
Synonym(s):α-Carboxyphenylacetic acid;α-Phenylmalonic acid;2-Phenylpropanedioic acid
- CAS NO.：2613-89-0
- Empirical Formula: C9H8O4
- Molecular Weight: 180.16
- MDL number: MFCD00004253
- EINECS: 220-044-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-18 17:01:59
What is Phenylmalonic acid?
Chemical properties
white to off-white crystalline powder
The Uses of Phenylmalonic acid
Phenylmalonic Acid is used as the starting material in the synthesis of Sodium Indanylcarbinicillin (S635000); a compound which has been shown to reduce blood pressure in mammals and also has been used as a β-lactam antibiotic.
Properties of Phenylmalonic acid
| Melting point: | 149-152 °C (dec.)(lit.) |
| Boiling point: | 272.96°C (rough estimate) |
| Density | 1.2933 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | pK1:2.58;pK2:5.03 (25°C) |
| color | White to Almost white |
| Water Solubility | soluble |
| BRN | 2048729 |
| CAS DataBase Reference | 2613-89-0(CAS DataBase Reference) |
| EPA Substance Registry System | Propanedioic acid, phenyl- (2613-89-0) |
Safety information for Phenylmalonic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Phenylmalonic acid
| InChIKey | WWYDYZMNFQIYPT-UHFFFAOYSA-N |
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