CAS No.6468-96-8,3-PHENYLUMBELLIFERONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6468-96-8
Name:	3-PHENYLUMBELLIFERONE
Article Data:	38

Formula:	C₁₅H₁₀O₃
Molecular Weight:	238.243
Synonyms:	Coumarin,7-hydroxy-3-phenyl- (7CI,8CI);Umbelliferone, 3-phenyl- (6CI);3-Phenyl-7-hydroxycoumarin;3-Phenylumbelliferone;7-Hydroxy-3-phenylcoumarin;
EINECS:	256-589-9
Density:	1.34 g/cm³
Melting Point:	206-210 °C(lit.)
Boiling Point:	471.8 °C at 760 mmHg
Flash Point:	210.1 °C
Hazard Symbols:	C,Xi
Risk Codes:	34-36/37/38
Safety:	22-24/25-45-37/39-36/37/39-27-26
PSA:	50.44000
LogP:	3.16560

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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