Product Name

  • Name

    Isochroman

  • EINECS 207-774-0
  • CAS No. 493-05-0
  • Article Data62
  • CAS DataBase
  • Density 1.053 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point 4.35°C
  • Formula C9H10O
  • Boiling Point 228.3 °C at 760 mmHg
  • Molecular Weight 134.178
  • Flash Point 65.6 °C
  • Transport Information
  • Appearance clear colorless to yellowish liquid
  • Safety 24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 493-05-0 (Isochroman)
  • Hazard Symbols IrritantXi
  • Synonyms Isochroman(6CI,7CI,8CI);NSC 63362;3,4-Dihydro-1H-2-Benzopyran;
  • PSA 9.23000
  • LogP 1.75930

Isochroman Chemical Properties

IUPAC Name: 3,4-dihydro-1H-isochromene 
Empirical Formula: C9H10O
Molecular Weight: 134.1751g/mol
EINECS: 207-774-0 
Structure of 3,4-Dihydro-1H-2-Benzopyran (CAS NO.493-05-0):
 
Index of Refraction: 1.541
Molar Refractivity: 40.03 cm3
Molar Volume: 127.3 cm3
Polarizability: 15.87×10-24cm3
Surface Tension: 38.9 dyne/cm
Density: 1.053 g/cm3
Flash Point: 65.6 °C
Enthalpy of Vaporization: 44.6 kJ/mol
Boiling Point: 228.3 °C at 760 mmHg
Vapour Pressure: 0.112 mmHg at 25°C 
Product Categories: Benzopyrans;Building Blocks;Heterocyclic Building Blocks 
Canonical SMILES: C1COCC2=CC=CC=C21
InChI: InChI=1S/C9H10O/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
InChIKey: HEBMCVBCEDMUOF-UHFFFAOYSA-N

Isochroman Uses

  3,4-Dihydro-1H-2-Benzopyran (493-05-0) is used for the synthesis of drug treatment for Parkinson's disease ropinirole.

Isochroman Safety Profile

Hazard Codes: IrritantXi
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
Hazard Note: Irritant

Isochroman Specification

 3,4-Dihydro-1H-2-Benzopyran , its cas register number is 493-05-0. It also can be called Isochromane . 3,4-Dihydro-1H-2-Benzopyran (CAS NO.493-05-0) is a clear colorless to yellowish liquid.

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