CAS No.4222-02-0,4,5,7-TRIHYDROXY-3-PHENYLCOUMARIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4222-02-0
Name:	4,5,7-TRIHYDROXY-3-PHENYLCOUMARIN

Formula:	C₁₅H₁₀O₅
Molecular Weight:	270.241
Synonyms:	Coumarin,4,5,7-trihydroxy-3-phenyl- (6CI,7CI,8CI);3-Phenyl-4,5,7-trihydroxycoumarin;4,5,7-Trihydroxy-3-phenylcoumarin;
Density:	1.579 g/cm³
Melting Point:	268-272 °C
Boiling Point:	590.955 °C at 760 mmHg
Flash Point:	231.219 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	90.90000
LogP:	2.57680

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Specification

The CAS register number of 2H-1-Benzopyran-2-one,4,5,7-trihydroxy-3-phenyl- is 4222-02-0. It also can be called as 3-Phenyl-4,5,7-trihydroxycoumarin and the systematic name about this chemical is 4,5,7-trihydroxy-3-phenyl-2H-chromen-2-one. The molecular formula about this chemical is C₁₅H₁₀O₅ and the molecular weight is 270.2369. It belongs to the following product categories which include API intermediates; Building Blocks; Coumarins; Heterocyclic Building Blocks and so on.

Physical properties about 2H-1-Benzopyran-2-one,4,5,7-trihydroxy-3-phenyl- are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 2; (3)ACD/BCF (pH 5.5): 5; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 44; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 86.99 Å²; (11)Index of Refraction: 1.748; (12)Molar Refractivity: 69.557 cm³; (13)Molar Volume: 171.113 cm³; (14)Polarizability: 27.574x10^-24cm³; (15)Surface Tension: 84.943 dyne/cm; (16)Density: 1.579 g/cm³; (17)Flash Point: 231.219 °C; (18)Enthalpy of Vaporization: 91.416 kJ/mol; (19)Boiling Point: 590.955 °C at 760 mmHg.

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 may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2cc(O)cc1OC(=O)/C(=C(/O)c12)c3ccccc3
(2)InChI: InChI=1/C15H10O5/c16-9-6-10(17)13-11(7-9)20-15(19)12(14(13)18)8-4-2-1-3-5-8/h1-7,16-18H
(3)InChIKey: RUSXZMPXIYUKLA-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H10O5/c16-9-6-10(17)13-11(7-9)20-15(19)12(14(13)18)8-4-2-1-3-5-8/h1-7,16-18H
(5)Std. InChIKey: RUSXZMPXIYUKLA-UHFFFAOYSA-N