2H-1-Benzopyran-2-one,7,8-dihydroxy-4-phenyl- supplier

Name
7 8-DIHYDROXY-4-PHENYLCOUMARIN
EINECS
CAS No. 842-01-3
Article Data15
CAS DataBase
Density 1.443 g/cm³
Solubility
Melting Point 190-195 °C(lit.)
Formula C₁₅H₁₀O₄
Boiling Point 495.1 °C at 760 mmHg
Molecular Weight 254.242
Flash Point 193.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Coumarin,7,8-dihydroxy-4-phenyl- (6CI,7CI,8CI);4-Phenyl-7,8-dihydroxycoumarin;4-Phenyldaphnetin;7,8-Dihydroxy-4-phenylcoumarin;Coumarin 8;7,8-dihydroxy-4-phenyl-2H-chromen-2-one;7,8-Dihydroxy-4-phenylcoumarin;
PSA 70.67000
LogP 2.87120

2H-1-Benzopyran-2-one,7,8-dihydroxy-4-phenyl- Specification

The 2H-1-Benzopyran-2-one,7,8-dihydroxy-4-phenyl-, with the CAS registry number 842-01-3, has the systematic name of 7,8-dihydroxy-4-phenyl-2H-chromen-2-one. It belongs to the following product categories: API intermediates; Building Blocks; Coumarins; Heterocyclic Building Blocks. And the molecular formula of the chemical is C₁₅H₁₀O₄.

The characteristics of 2H-1-Benzopyran-2-one,7,8-dihydroxy-4-phenyl- are as followings: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.76 Å²; (7)Index of Refraction: 1.698; (8)Molar Refractivity: 67.97 cm³; (9)Molar Volume: 176.1 cm³; (10)Polarizability: 26.94×10^-24cm³; (11)Surface Tension: 68.2 dyne/cm; (12)Density: 1.443 g/cm³; (13)Flash Point: 193.8 °C; (14)Enthalpy of Vaporization: 79.16 kJ/mol; (15)Boiling Point: 495.1 °C at 760 mmHg; (16)Vapour Pressure: 1.99E-10 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C/2Oc1c(O)c(O)ccc1\C(=C\2)c3ccccc3
(2)InChI: InChI=1/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
(3)InChIKey: JRVIIPJSVKTPBK-UHFFFAOYAA

Product Name

7 8-DIHYDROXY-4-PHENYLCOUMARIN

2H-1-Benzopyran-2-one,7,8-dihydroxy-4-phenyl- Specification

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