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Cas Database |
| Name |
Isochroman |
EINECS | 207-774-0 |
| CAS No. | 493-05-0 | Density | 1.053 g/cm3 |
| PSA | 9.23000 | LogP | 1.75930 |
| 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 | N/A | Appearance | clear colorless to yellowish liquid |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
Isochroman(6CI,7CI,8CI);NSC 63362;3,4-Dihydro-1H-2-Benzopyran; |
Article Data | 62 |
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: 
Xi
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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