CAS No.81036-84-2,1-Bromo-5-dioxolanecyclohex-1-ene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	81036-84-2
Name:	1-Bromo-5-dioxolanecyclohex-1-ene
Article Data:	3

Formula:	C₈H₁₁BrO₂
Molecular Weight:	219.078
Synonyms:	7-Bromo-1, 4-dioxaspiro[4.5]dec-7-ene;
Density:	1.53 g/cm³
Boiling Point:	275 °C at 760 mmHg
Flash Point:	125.6 °C
PSA:	18.46000
LogP:	2.19220

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Specification

The 1, 4-Dioxaspiro[4.5]dec-7-ene, 7-bromo-, with the CAS registry number 81036-84-2, is also known as 7-Bromo-1, 4-dioxaspiro[4.5]dec-7-ene. This chemical's molecular formula is C₈H₁₁BrO₂ and molecular weight is 219.08. What's more, its IUPAC name is 9-Bromo-1, 4-dioxaspiro[4.5]dec-8-ene.

Physical properties about 1,4-Dioxaspiro[4.5]dec-7-ene,7-bromo- are: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.03; (6)ACD/BCF (pH 7.4): 26.03; (7)ACD/KOC (pH 5.5): 358.74; (8)ACD/KOC (pH 7.4): 358.74; (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: 1.554; (14)Molar Refractivity: 45.89 cm³; (15)Molar Volume: 143.1 cm³; (16)Polarizability: 18.19×10^-24 cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 125.6 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 275 °C at 760 mmHg; (22)Vapour Pressure: 0.00877 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br\C2=C\CCC1(OCCO1)C2
(2) InChI: InChI=1/C8H11BrO2/c9-7-2-1-3-8(6-7)10-4-5-11-8/h2H,1,3-6H2
(3) InChIKey: KOGVFXIYCXYORS-UHFFFAOYAQ