CAS No.38170-80-8,1,3-BIS[(TRIMETHYLSILYL)ETHYNYL]BENZENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38170-80-8
Name:	1,3-BIS[(TRIMETHYLSILYL)ETHYNYL]BENZENE
Article Data:	11

Formula:	C₁₆H₂₂Si₂
Molecular Weight:	270.522
Synonyms:	(1,3-Phenylenediethyne-2,1-diyl)bis(trimethylsilane);1,3-Bis((trimethylsilyl)ethynyl)benzene;
Density:	0.92 g/cm³
Melting Point:	57 °C
Boiling Point:	304.9 °C at 760 mmHg
Flash Point:	120.9 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	4.14440

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Specification

The Benzene,1,3-bis[2-(trimethylsilyl)ethynyl]-, with the CAS registry number 38170-80-8, is also known as (1,3-Phenylenediethyne-2,1-diyl)bis(trimethylsilane). It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons having Benzene Ring; Ethynylsilanes; Si (Classes of Silicon Compounds); Si-(C)4 Compounds. This chemical's molecular formula is C₁₆H₂₂Si₂ and molecular weight is 270.52. What's more, its IUPAC name is trimethyl-[2-[3-(2-trimethylsilylethynyl)phenyl]ethynyl]silane.

Physical properties of Benzene,1,3-bis[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 6.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.69; (4)ACD/LogD (pH 7.4): 6.69; (5)ACD/BCF (pH 5.5): 71388.64; (6)ACD/BCF (pH 7.4): 71388.64; (7)ACD/KOC (pH 5.5): 103707.01; (8)ACD/KOC (pH 7.4): 103707.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 86.58 cm³; (15)Molar Volume: 291.4 cm³; (16)Polarizability: 34.32×10^-24cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.92 g/cm³; (19)Flash Point: 120.9 °C; (20)Enthalpy of Vaporization: 52.35 kJ/mol; (21)Boiling Point: 304.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00154 mmHg at 25°C.

Preparation: this chemical can be prepared by ethynyl-trimethyl-silane by heating. This reaction will need reagents 1,3-dibromobenzene, (PhCN)₂PdCl₂, Ph₃P, copper (II) acetate hydrate, diisopropylamine with the reaction time of 3 hours. The yield is about 89%.

Benzene,1,3-bis[2-(trimethylsilyl)ethynyl]- can be prepared by ethynyl-trimethyl-silane by heating

Uses of Benzene,1,3-bis[2-(trimethylsilyl)ethynyl]-: it can be used to produce 1,3-diethynyl-benzene at the ambient temperature. It will need reagents KOH, H₂O and solvent methanol with the reaction time of 20 min. The yield is about 90.1%.

Benzene,1,3-bis[2-(trimethylsilyl)ethynyl]- can be used to produce 1,3-diethynyl-benzene at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#Cc1cccc(C#C[Si](C)(C)C)c1)[Si](C)(C)C
(2)Std. InChI: InChI=1S/C16H22Si2/c1-17(2,3)12-10-15-8-7-9-16(14-15)11-13-18(4,5)6/h7-9,14H,1-6H3
(3)Std. InChIKey: ASZOZZMGMNVKDV-UHFFFAOYSA-N