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131470-66-1

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Basic Information
CAS No.: 131470-66-1
Name: 2-(TRIBUTYLSTANNYL)-5,6-DIHYDRO-[1,4]-DIOXIN
Article Data: 1
Molecular Structure:
Molecular Structure of 131470-66-1 (2-(TRIBUTYLSTANNYL)-5,6-DIHYDRO-[1,4]-DIOXIN)
Formula: C16H32O2Sn
Molecular Weight: 375.139
Synonyms: 1,4-Dioxin,stannane deriv.;(5,6-Dihydro-[1,4]dioxin-2-yl)tributylstannane;Tributyl(5,6-dihydro-[1,4]dioxin-2-yl)stannane;
Boiling Point: 354.2 °C at 760 mmHg
Flash Point: 168 °C
PSA: 18.46000
LogP: 4.25320
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Specification

The Stannane,tributyl(5,6-dihydro-1,4-dioxin-2-yl)-, with CAS registry number 131470-66-1, has the systematic name of tributyl(5,6-dihydro-1,4-dioxin-2-yl)stannane. Besides this, it is also called 2-(Tributylstannyl)-5,6-dihydro-[1,4]-dioxin. And the chemical formula of this chemical is C16H32O2Sn.

Physical properties of Stannane,tributyl(5,6-dihydro-1,4-dioxin-2-yl)-: (1)ACD/LogP: 8.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.68; (4)ACD/LogD (pH 7.4): 8.68; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1254086.88; (8)ACD/KOC (pH 7.4): 1254086.88; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 18.46 Å2; (13)Flash Point: 168 °C; (14)Enthalpy of Vaporization: 57.56 kJ/mol; (15)Boiling Point: 354.2 °C at 760 mmHg; (16)Vapour Pressure: 6.94E-05 mmHg at 25°C.

Uses of Stannane,tributyl(5,6-dihydro-1,4-dioxin-2-yl)-: it can be used to produce acetyl chloride and tributyl-(5,6-dihydro-[1,4]dioxin-2-yl)-stannane. This reaction will need reagent benzene. The reaction time is 3 hour(s). The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)SMILES: O1/C=C(\OCC1)[Sn](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/C4H5O2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1H,3-4H2;3*1,3-4H2,2H3;/rC16H32O2Sn/c1-4-7-12-19(13-8-5-2,14-9-6-3)16-15-17-10-11-18-16/h15H,4-14H2,1-3H3
(3)InChIKey: TWIASPXZARVBBY-OCPSNCTMAA
(4)Std. InChI: InChI=1S/C4H5O2.3C4H9.Sn/c1-2-6-4-3-5-1;3*1-3-4-2;/h1H,3-4H2;3*1,3-4H2,2H3
(5)Std. InChIKey: TWIASPXZARVBBY-UHFFFAOYSA-N