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170942-79-7

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Basic Information
CAS No.: 170942-79-7
Name: TRANS-4,4,5,5-TETRAMETHYL-2-OCT-1-ENYL-1,3,2-DIOXABOROLANE
Article Data: 13
Molecular Structure:
Molecular Structure of 170942-79-7 (TRANS-4,4,5,5-TETRAMETHYL-2-OCT-1-ENYL-1,3,2-DIOXABOROLANE)
Formula: C14H27BO2
Molecular Weight: 238.178
Synonyms: 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-octenyl)- (9CI);
Density: 0.88g/cm3
Boiling Point: 260.2 °C at 760 mmHg
Flash Point: 111.2 °C
Safety: 24/25
PSA: 18.46000
LogP: 4.14440
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Specification

The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-octen-1-yl)-, with CAS registry number 170942-79-7, has the systematic name of 4,4,5,5-tetramethyl-2-oct-1-en-1-yl-1,3,2-dioxaborolane. And the chemical formula of this chemical is C14H27BO2. When use this chemical, avoid contact with skin and eyes.

Physical properties of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(1-octen-1-yl)-: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.444; (6)Molar Refractivity: 71.7 cm3; (7)Molar Volume: 269.4 cm3; (8)Polarizability: 28.42×10-24cm3; (9)Surface Tension: 27.3 dyne/cm; (10)Density: 0.88 g/cm3; (11)Flash Point: 111.2 °C; (12)Enthalpy of Vaporization: 47.78 kJ/mol; (13)Boiling Point: 260.2 °C at 760 mmHg; (14)Vapour Pressure: 0.0201 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)C=CCCCCCC
(2)InChI: InChI=1/C14H27BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3
(3)InChIKey: KQTOSGTXAFJZSJ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C14H27BO2/c1-6-7-8-9-10-11-12-15-16-13(2,3)14(4,5)17-15/h11-12H,6-10H2,1-5H3
(5)Std. InChIKey: KQTOSGTXAFJZSJ-UHFFFAOYSA-N