2,5-Cyclohexadiene-1,4-dione,2-phenoxy- supplier

Name
2-phenoxycyclohexa-2,5-diene-1,4-dione
EINECS
CAS No. 3490-49-1
Article Data3
CAS DataBase
Density 1.304 g/cm³
Solubility
Melting Point
Formula C₁₂H₈O₃
Boiling Point 313.3 °C at 760 mmHg
Molecular Weight 200.194
Flash Point 137.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Benzoquinone,phenoxy- (7CI,8CI);2-Phenoxy-1,4-benzoquinone;NSC 75681;2-Phenoxy-[1,4]benzoquinone;2-Phenoxycyclohexa-2,5-diene-1,4-dione;
PSA
LogP

2,5-Cyclohexadiene-1,4-dione,2-phenoxy- Specification

The 2,5-Cyclohexadiene-1,4-dione,2-phenoxy-, with the CAS registry number 3490-49-1, is also known as 2-Phenoxy-[1,4]benzoquinone. This chemical's molecular formula is C₁₂H₈O₃ and molecular weight is 200.19. What's more, its systematic name is 2-phenoxycyclohexa-2,5-diene-1,4-dione.

Physical properties of 2,5-Cyclohexadiene-1,4-dione,2-phenoxy- are: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.612; (8)Molar Refractivity: 53.43 cm³; (9)Molar Volume: 153.5 cm³; (10)Polarizability: 21.18×10^-24cm³; (11)Surface Tension: 54.2 dyne/cm; (12)Density: 1.304 g/cm³; (13)Flash Point: 137.9 °C; (14)Enthalpy of Vaporization: 55.43 kJ/mol; (15)Boiling Point: 313.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000502 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C=C\C(=O)\C=C2\Oc1ccccc1
(2)InChI: InChI=1S/C12H8O3/c13-9-6-7-11(14)12(8-9)15-10-4-2-1-3-5-10/h1-8H
(3)InChIKey: YKYILJANBFCBQH-UHFFFAOYSA-N

Product Name

2-phenoxycyclohexa-2,5-diene-1,4-dione

2,5-Cyclohexadiene-1,4-dione,2-phenoxy- Specification

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