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100242-24-8

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Basic Information
CAS No.: 100242-24-8
Name: 7-hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin
Molecular Structure:
Molecular Structure of 100242-24-8 (7-hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin)
Formula: C21H14 O4
Molecular Weight: 330.35
Synonyms: 7-hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin
Density: 1.386g/cm3
Boiling Point: 586.1°Cat760mmHg
Flash Point: 215.5°C
Safety: Moderately toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 70.67000
LogP: 4.53820
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Chemistry

The Molecular Structure of 7-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin (CAS NO.100242-24-8):

Molecular Formula: C21H14O4
Molecular Weight: 330.333460 g/mol
Index of Refraction: 1.702
Molar Refractivity: 92.41 cm3
Molar Volume: 238.3 cm3
Surface Tension: 64.8 dyne/cm
Density: 1.386 g/cm3
Flash Point: 215.5 °C
Enthalpy of Vaporization: 90.79 kJ/mol
Boiling Point: 586.1 °C at 760 mmHg
Vapour Pressure: 2.45E-14 mmHg at 25°C 
InChI
InChI=1/C21H14O4/c22-15-8-6-14(7-9-15)20-19(13-4-2-1-3-5-13)17-11-10-16(23)12-18(17)25-21(20)24/h1-12,22-23H
Smiles
c1(O)ccc2c(c3ccccc3)c(c3ccc(cc3)O)c(oc2c1)=O
The IUPAC of 7-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin (CAS NO.100242-24-8) is 7-hydroxy-3-(4-hydroxyphenyl)-4-phenylchromen-2-one .

Toxicity Data With Reference

1.    

ipr-mus LD50:1410 mg/kg

     IJEBA6    Indian Journal of Experimental Biology. 25 (1987),450.

Safety Profile

Moderately toxic by intraperitoneal route. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 7-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin (CAS NO.100242-24-8) is also called as 2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-hydroxyphenyl)-4-phenyl- ; 7-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin ; OV(sub 1) ; Coumarin, 7-hydroxy-3-(p-hydroxyphenyl)-4-phenyl- .