Phenylmalonic acid , 98% , 2613-89-0

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

PRODUCT Properties

• 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
• pka: pK1:2.58;pK2:5.03 (25°C)
• form: powder to crystal
• color: White to Almost white
• Water Solubility: soluble
• BRN: 2048729
• InChI: 1S/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
• InChIKey: WWYDYZMNFQIYPT-UHFFFAOYSA-N
• SMILES: OC(=O)C(C(O)=O)c1ccccc1
• CAS DataBase Reference: 2613-89-0(CAS DataBase Reference)
• EPA Substance Registry System: Propanedioic acid, phenyl- (2613-89-0)

Description and Uses

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.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P305+P351+P338
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi,Xn
• Risk Statements: 36/37/38-41-22
• Safety Statements: 26-36-24/25
• WGK Germany: 3
• TSCA: TSCA listed
• HS Code: 2917399590
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; STOT SE 3