Product Name

  • Name

    6-Benzofurancarboxaldehyde, 5-hydroxy-

  • EINECS
  • CAS No. 63376-65-8
  • Article Data2
  • CAS DataBase
  • Density 1.392 g/cm3
  • Solubility
  • Melting Point 114-115 °C
  • Formula C9H6O3
  • Boiling Point 270.586 °C at 760 mmHg
  • Molecular Weight 162.145
  • Flash Point 117.447 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 63376-65-8 (6-Benzofurancarboxaldehyde, 5-hydroxy-)
  • Hazard Symbols
  • Synonyms 5-Hydroxybenzofuran-6-carbaldehyde;
  • PSA 50.44000
  • LogP 1.95090

6-Benzofurancarboxaldehyde, 5-hydroxy- Specification

The CAS registry number of 6-Benzofurancarboxaldehyde, 5-Hydroxy- is 63376-65-8. Its molecular formula is C9H6O3 and molecular weight is 162.1421. Its systematic name is called 5-hydroxybenzofuran-6-carbaldehyde.

Physical properties about 6-Benzofurancarboxaldehyde, 5-Hydroxy- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.416; (4)ACD/LogD (pH 7.4): 2.155; (5)ACD/BCF (pH 5.5): 40.289; (6)ACD/BCF (pH 7.4): 22.085; (7)ACD/KOC (pH 5.5): 488.995; (8)ACD/KOC (pH 7.4): 268.046; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.701; (13)Molar Refractivity: 45.03 cm3; (14)Molar Volume: 116.44 cm3; (15)Surface Tension: 60.809 dyne/cm; (16)Density: 1.392 g/cm3; (17)Flash Point: 117.447 °C; (18)Enthalpy of Vaporization: 52.926 kJ/mol; (19)Boiling Point: 270.586 °C at 760 mmHg; (20)Vapour Pressure: 0.004 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-methoxy-benzofuran-6-carbaldehyde. This reaction will need reagent BBr3 and solvent CH2Cl2. The reaction time is 15 min with reaction temperature of -78 °C. The yield is about 64 %.

6-Benzofurancarboxaldehyde, 5-hydroxy- can be prepared by 5-methoxy-benzofuran-6-carbaldehyde

You can still convert the following datas into molecular structure:
(1)SMILES: c1coc2c1cc(c(c2)C=O)O
(2)InChI: InChI=1/C9H6O3/c10-5-7-4-9-6(1-2-12-9)3-8(7)11/h1-5,11H
(3)InChIKey: WRWSBLXLJVQGKR-UHFFFAOYAT

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