Basic information
- Name:
2H-1-Benzopyran-2-one,6-hydroxy-
- CAS No.:
6093-68-1
- Molecular Structure:
- Formula:
- C9H6 O3
- Molecular Weight:
- 162.1421
- Synonyms:
- Coumarin,6-hydroxy- (7CI,8CI); 6-Hydroxycoumarin; Grevillone; NSC 226192; NSC 677227
- Density:
- 1.403 g/cm3
- Melting Point:
- 249-253 °C(lit.)
- Boiling Point:
- 398.2 °C at 760 mmHg
- Flash Point:
- 189.6 °C
- Hazard Symbols:
Xn- Risk Codes:
- 22-36/37/38
- Safety Description:
- 26-36 Details
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Chemistry
Molecular Structure of 2H-1,4-Benzoxazin-3(4H)-one (CAS NO.6093-68-1):
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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
Safety Profile
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
Specification
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 .
