CAS No.3989-15-9,2-TRIMETHYLSILYLETHYNYLTOLUENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3989-15-9
Name:	2-TRIMETHYLSILYLETHYNYLTOLUENE
Article Data:	39

Formula:	C₁₂H₁₆Si
Molecular Weight:	188.345
Synonyms:	2-Tolyl(trimethylsilyl)acetylene;1-Methyl-2-(2-Trimethylsilylethynyl)benzene;Silane,trimethyl[(2-methylphenyl)ethynyl]- (9CI);Silane,trimethyl(o-tolylethynyl)- (7CI,8CI);
Density:	0.9 g/cm³
Boiling Point:	226.8 °C at 760 mmHg
Flash Point:	85 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	3.22390

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Specification

The Benzene, 1-methyl-2-[2-(trimethylsilyl)ethynyl]-, with the CAS registry number 3989-15-9, is also known as 2-Trimethylsilylethynyltoluene. It belongs to the product categories of Alkynes; Internal; Organic Building Blocks. This chemical's molecular formula is C₁₂H₁₆Si and molecular weight is 188.34. What's more, its systematic name is Trimethyl[(2-methylphenyl)ethynyl]silane. In addition, it must be stored in airtight containers below 5 °C and placed in a dry, cool place.

Physical properties about Benzene, 1-methyl-2-[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.91; (4)ACD/LogD (pH 7.4): 4.91; (5)ACD/BCF (pH 5.5): 3194.64; (6)ACD/BCF (pH 7.4): 3194.64; (7)ACD/KOC (pH 5.5): 11221.72; (8)ACD/KOC (pH 7.4): 11221.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 61.29 cm³; (15)Molar Volume: 207.2 cm³; (16)Polarizability: 24.29×10^-24 cm³; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.9 g/cm³; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 44.45 kJ/mol; (21)Boiling Point: 226.8 °C at 760 mmHg; (22)Vapour Pressure: 0.121 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#Cc1ccccc1C)[Si](C)(C)C
(2) InChI: InChI=1/C12H16Si/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-8H,1-4H3
(3) InChIKey: POJCCZAVVWWXNS-UHFFFAOYAI