CAS No.5417-32-3,1,3-DIOXEP-5-ENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5417-32-3
Name:	1,3-DIOXEP-5-ENE
Article Data:	16

Formula:	C₅H₈O₂
Molecular Weight:	100.117
Synonyms:	4,7-Dihydro-1,3-dioxepine;1,3-Dioxepin, 4,7-dihydro-;1,3-Dioxepin, 4,7-dihydro- (8CI 9CI);1,3-Dioxep-5-ene;NSC7404;
Density:	1.005 g/cm³
Melting Point:	125-127 °C(lit.)
Boiling Point:	129.3 °C at 760 mmHg
Flash Point:	26.1 °C
Risk Codes:	10
Safety:	16-29-33
PSA:	18.46000
LogP:	0.54690

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Specification

The 4,7-Dihydro-1,3-dioxepin, with the CAS registry number 5417-32-3, is also known as 1,3-Dioxep-5-ene. This chemical's molecular formula is C₅H₈O₂ and molecular weight is 100.12. What's more, its systematic name is 4,7-Dihydro-1,3-dioxepine. It is flammable, so you should keep it away from sources of ignition - No smoking. When using it, you can't empty it into drains and you should also take precautionary measures against static discharges.

Physical properties of 4,7-Dihydro-1,3-dioxepin are: (1)ACD/LogP: -0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.51; (8)ACD/KOC (pH 7.4): 14.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.432; (14)Molar Refractivity: 25.87 cm³; (15)Molar Volume: 99.5 cm³; (16)Polarizability: 10.25×10^-24cm³; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.005 g/cm³; (19)Flash Point: 26.1 °C; (20)Enthalpy of Vaporization: 35.18 kJ/mol; (21)Boiling Point: 129.3 °C at 760 mmHg; (22)Vapour Pressure: 12.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C=CCOCO1
(2)InChI: InChI=1S/C5H8O2/c1-2-4-7-5-6-3-1/h1-2H,3-5H2
(3)InChIKey: BAKUAUDFCNFLBX-UHFFFAOYSA-N