232793

3-Formylbenzoic acid

97%

• Synonym(s): 3-Carboxybenzaldehyde, Isophthalaldehydic acid
• Linear Formula: HO₂CC₆H₄CHO
• CAS Number: 619-21-6
• Molecular Weight: 150.13
• Beilstein: 2206413
• EC Number: 210-585-6
• MDL number: MFCD00039575
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853930
• NACRES: NA.22

Properties

• Assay: 97%
• form: powder
• mp: 173-175 °C (lit.)
• solubility: methanol: soluble 100 mg/mL, clear to slightly hazy, colorless to very faintly brown(lit.)
• functional group: aldehyde
• SMILES string: [H]C(=O)c1cccc(c1)C(O)=O
• InChI: 1S/C8H6O3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H,(H,10,11)
• InChI key: UHDNUPHSDMOGCR-UHFFFAOYSA-N

Description

General description

3-Formylbenzoic acid is a polar aromatic aldehyde used in the synthesis of 3-hydroxymethylbenzoic acid via reduction.

Application

3-Formylbenzoic acid was 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
• 3-[(4-amino-1,2-dihydro-1-oxo-2-phenyl-1,2,4-triazolo[4,3-a]quinoxalin-6-yl)amino]methylbenzoic acid

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves