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2H-1-Benzopyran-2-one,7-hydroxy-3-phenyl-

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Name

2H-1-Benzopyran-2-one,7-hydroxy-3-phenyl-

EINECS 256-589-9
CAS No. 6468-96-8 Density 1.34 g/cm3
PSA 50.44000 LogP 3.16560
Solubility N/A Melting Point 206-210 °C(lit.)
Formula C15H10O3 Boiling Point 471.8 °C at 760 mmHg
Molecular Weight 238.243 Flash Point 210.1 °C
Transport Information N/A Appearance N/A
Safety 22-24/25-45-37/39-36/37/39-27-26 Risk Codes 34-36/37/38
Molecular Structure Molecular Structure of 6468-96-8 (3-PHENYLUMBELLIFERONE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

Coumarin,7-hydroxy-3-phenyl- (7CI,8CI);Umbelliferone, 3-phenyl- (6CI);3-Phenyl-7-hydroxycoumarin;3-Phenylumbelliferone;7-Hydroxy-3-phenylcoumarin;

Article Data 38

2H-1-Benzopyran-2-one,7-hydroxy-3-phenyl- Specification

The CAS register number of 2H-1-Benzopyran-2-one,7-hydroxy-3-phenyl- is 6468-96-8. It also can be called as 3-Phenylumbelliferone and the systematic name about this chemical is 7-hydroxy-3-phenyl-2H-chromen-2-one. The molecular formula about this chemical is C15H10O3 and the molecular weight is 238.24.

Physical properties about 2H-1-Benzopyran-2-one,7-hydroxy-3-phenyl- are: (1)ACD/LogP: 3.98; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 35.53 Å2; (6)Index of Refraction: 1.666; (7)Molar Refractivity: 66.08 cm3; (8)Molar Volume: 177.7 cm3; (9)Polarizability: 26.19x10-24cm3; (10)Surface Tension: 58.2 dyne/cm; (11)Density: 1.34 g/cm3; (12)Flash Point: 210.1 °C; (13)Enthalpy of Vaporization: 76.27 kJ/mol; (14)Boiling Point: 471.8 °C at 760 mmHg; (15)Vapour Pressure: 1.59E-09 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it can cause burns. It may destroy living tissue on contact and cause inflammation to the skin or other mucous membranes. Therefore, if you want to use it, wear suitable protective clothing, gloves and eye/face protection. When you are using it, do not breathe dust and avoid contact with skin and eyes. If it stains your clothing, take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(O)ccc1\C=C\2c3ccccc3
(2)InChI: InChI=1/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
(3)InChIKey: RIPZCQZTVDNJHQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C15H10O3/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9,16H
(5)Std. InChIKey: RIPZCQZTVDNJHQ-UHFFFAOYSA-N

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