1-Benzoxepin-5(2H)-one,3,4-dihydro- supplier

Name
3,4-Dihydro-2H-benzo[b]oxepin-5-one
EINECS
CAS No. 6786-30-7
Article Data22
CAS DataBase
Density 1.145 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀O₂
Boiling Point 286.6 °C at 760 mmHg
Molecular Weight 162.188
Flash Point 133.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Oxabicyclo[5.4.0]undeca-7,9,11-trien-6-one;Homochromanone;
PSA 26.30000
LogP 2.04190

1-Benzoxepin-5(2H)-one,3,4-dihydro- Specification

The 1-Benzoxepin-5(2H)-one,3,4-dihydro-, with the CAS registry number 6786-30-7, is also known as 3,4-Dihydro-1-benzoxepin-5(2H)-one. This chemical's molecular formula is C₁₀H₁₀O₂ and molecular weight is 162.1852. What's more, its IUPAC name is called 3,4-Dihydro-2H-1-benzoxepin-5-one.

Physical properties about 1-Benzoxepin-5(2H)-one,3,4-dihydro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 44.77 cm³; (9)Molar Volume: 141.5 cm³; (10)Surface Tension: 40.9 dyne/cm; (11)Density: 1.145 g/cm³; (12)Flash Point: 133.7 °C; (13)Enthalpy of Vaporization: 52.57 kJ/mol; (14)Boiling Point: 286.6 °C at 760 mmHg; (15)Vapour Pressure: 0.00261 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(OCCC1)cccc2
(2) InChI: InChI=1/C10H10O2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6H,3,5,7H2
(3) InChIKey: KNTMEDNZPJADJU-UHFFFAOYAQ

Product Name

3,4-Dihydro-2H-benzo[b]oxepin-5-one

1-Benzoxepin-5(2H)-one,3,4-dihydro- Specification

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