Molecular Structure of 2H-1,4-Benzoxazin-3(4H)-one (CAS NO.6093-68-1):
IUPAC Name: 6-hydroxychromen-2-one
Empirical Formula: C9H6O3
Molecular Weight: 162.1421
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 35.53 Å2
Index of Refraction: 1.64
Molar Refractivity: 41.64 cm3
Molar Volume: 115.5 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.403 g/cm3
Flash Point: 189.6 °C
Enthalpy of Vaporization: 67.41 kJ/mol
Boiling Point: 398.2 °C at 760 mmHg
Vapour Pressure: 6.52E-07 mmHg at 25°C
Melting Point: 249-253 °C(lit.)
Product Categories: Coumarins; Fused Ring Systems; Building Blocks; Heterocyclic Building Blocks
Hazard Codes: Xn,Xi
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
2H-1,4-Benzoxazin-3(4H)-one , with CAS number of 6093-68-1, can be called 2H-1-Benzopyran-2-one, 6-hydroxy- ; 6-Hydroxy-2h-chromen-2-one ; 6-hydroxycoumarin ; 6-Hydroxy-2H-chromen-2-one 97% ; 6-Hydroxy-2H-1-benzopyran-2-one .
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