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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 | 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 |
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