CAS No.16116-78-2,(4-BROMOPHENYLETHYNYL)TRIMETHYLSILANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16116-78-2
Name:	(4-BROMOPHENYLETHYNYL)TRIMETHYLSILANE
Article Data:	91

Formula:	C₁₁H₁₃BrSi
Molecular Weight:	253.214
Synonyms:	Silane,[(4-bromophenyl)ethynyl]trimethyl- (9CI);Silane,[(p-bromophenyl)ethynyl]trimethyl- (8CI);(p-Bromophenyl)ethynyl)trimethylsilane;1-(p-Bromophenyl)-2-trimethylsilylacetylene;1-Bromo-4-(trimethylsilylethynyl)benzene;[(4-Bromophenyl)ethynyl]trimethylsilane;[1-(4-Bromophenyl)-2-trimethylsilyl]acetylene;
Density:	1.23 g/cm³
Melting Point:	61-63 °C (lit.)
Boiling Point:	247.1 °C at 760 mmHg
Flash Point:	144 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	0.00000
LogP:	3.67800

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Specification

The Benzene, 1-bromo-4-[2-(trimethylsilyl)ethynyl]-, with the CAS registry number 16116-78-2, is also known as (4-Bromophenylethynyl)trimethylsilane. It belongs to the product categories of Alkynyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C₁₁H₁₃BrSi and molecular weight is 253.21. What's more, its systematic name is [(4-Bromophenyl)ethynyl](trimethyl)silane. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 1-bromo-4-[2-(trimethylsilyl)ethynyl]- are: (1)ACD/LogP: 5.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.23; (4)ACD/LogD (pH 7.4): 5.23; (5)ACD/BCF (pH 5.5): 5511.45; (6)ACD/BCF (pH 7.4): 5511.45; (7)ACD/KOC (pH 5.5): 16580.22; (8)ACD/KOC (pH 7.4): 16580.22; (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: 1.543; (14)Molar Refractivity: 64.38 cm³; (15)Molar Volume: 204.2 cm³; (16)Polarizability: 25.52×10^-24 cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 46.47 kJ/mol; (21)Boiling Point: 247.1 °C at 760 mmHg; (22)Vapour Pressure: 0.041 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. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: Brc1ccc(C#C[Si](C)(C)C)cc1
(2) InChI: InChI=1/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
(3) InChIKey: RNMSGCJGNJYDNS-UHFFFAOYAK