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Benzene,1-bromo-4-[2-(trimethylsilyl)ethynyl]-

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Name

Benzene,1-bromo-4-[2-(trimethylsilyl)ethynyl]-

EINECS N/A
CAS No. 16116-78-2 Density 1.23 g/cm3
PSA 0.00000 LogP 3.67800
Solubility N/A Melting Point 61-63 °C (lit.)
Formula C11H13BrSi Boiling Point 247.1 °C at 760 mmHg
Molecular Weight 253.214 Flash Point 144 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16116-78-2 ((4-BROMOPHENYLETHYNYL)TRIMETHYLSILANE) Hazard Symbols N/A
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;

Article Data 91

Benzene,1-bromo-4-[2-(trimethylsilyl)ethynyl]- 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

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