3-Formylbenzoic acid , 97% , 619-21-6

Synonym(s):
3-Carboxybenzaldehyde;Isophthalaldehydic acid

CAS NO.：619-21-6

Empirical Formula: C8H6O3

Molecular Weight: 150.13

MDL number: MFCD00039575

EINECS: 210-585-6

PRODUCT Properties

• Melting point: 173-175 °C(lit.)
• Boiling point: 231.65°C (rough estimate)
• Density: 1.2645 (rough estimate)
• refractive index: 1.4500 (estimate)
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: Soluble in methanol (100 mg/mL) gives a clear to slightly hazy, colorless to very faintly brown.
• form: Powder
• pka: 3.84(at 25℃)
• color: White to light yellow
• Sensitive: Air Sensitive
• BRN: 2206413
• InChI: InChI=1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
• InChIKey: UHDNUPHSDMOGCR-UHFFFAOYSA-N
• SMILES: C(O)(=O)C1=CC=CC(C=O)=C1
• CAS DataBase Reference: 619-21-6(CAS DataBase Reference)
• EPA Substance Registry System: Benzoic acid, 3-formyl- (619-21-6)

Description and Uses

3-Formylbenzoic acid is used in the synthesis of bicyclic cis-2-azetidinone derivatives via Ugi 4-centre 3-component reaction, porphyrin capped with a steroidal superstructure bearing convergent hydroxy groups and 3-[(4-amino-1,2-dihydro-1-oxo-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-6-yl)amino]methyl benzoic acid.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39-36
• WGK Germany: 3
• TSCA: Yes
• HS Code: 29183000