(3-bromophenylethynyl)trimethylsilane
(3-bromophenylethynyl)trimethylsilane structure
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Common Name | (3-bromophenylethynyl)trimethylsilane | ||
|---|---|---|---|---|
| CAS Number | 3989-13-7 | Molecular Weight | 253.21000 | |
| Density | 1.189 g/mL at 25ºC(lit.) | Boiling Point | 80ºC0.2 mm Hg(lit.) | |
| Molecular Formula | C11H13BrSi | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | >230 °F | |
Summary: 2-(3-bromophenylethynyl)trimethylsilane, also known as (3-bromophenyl ethynyl)trimethylsilane, has a CAS number of 3989-13-7, with a molecular formula of C11H13BrSi and a molecular weight of 253.21. It is a light yellow to brown clear liquid with a boiling point of 80°C (0.2 mm Hg) and a density of 1.189 g/mL (25°C). For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(3-bromophenyl)ethynyl-trimethylsilane |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.189 g/mL at 25ºC(lit.) |
|---|---|
| Boiling Point | 80ºC0.2 mm Hg(lit.) |
| Molecular Formula | C11H13BrSi |
| Molecular Weight | 253.21000 |
| Flash Point | >230 °F |
| Exact Mass | 251.99700 |
| LogP | 3.67800 |
| Index of Refraction | n20/D 1.555(lit.) |
| InChIKey | BXXMHQYHYOTTPM-UHFFFAOYSA-N |
| SMILES | C[Si](C)(C)C#Cc1cccc(Br)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves |
|---|---|
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
(3-bromophenyle... CAS#:3989-13-7 |
| Literature: Malamas, Michael S.; Barnes, Keith; Johnson, Matthew; Hui, Yu; Zhou, Ping; Turner, Jim; Hu, Yun; Wagner, Erik; Fan, Kristi; Chopra, Rajiv; Olland, Andrea; Bard, Jonathan; Pangalos, Menelas; Reinhart, Peter; Robichaud, Albert J. Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 2 p. 630 - 639 |
|
~%
(3-bromophenyle... CAS#:3989-13-7 |
| Literature: Hughes Aircraft Company Patent: EP585590 A1, 1994 ; |
|
~47%
(3-bromophenyle... CAS#:3989-13-7 |
| Literature: Price Jr., David W.; Dirk, Shawn M.; Maya, Francisco; Tour, James M. Tetrahedron, 2003 , vol. 59, # 14 p. 2497 - 2518 |
|
~%
(3-bromophenyle... CAS#:3989-13-7 |
| Literature: Evans,A.G. et al. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1974 , p. 1216 - 1219 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 1 | |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Enantioselective synthesis of both enantiomers of various propargylic alcohols by use of two oxidoreductases. Schubert T, et al.
European J. Org. Chem. 2001(22) , 4181-4187, (2001)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| [(3-bromophenyl)ethynyl](trimethyl)silane |
| meta-bromophenyltrimethylsilylacetylene |
| (2-(3-bromophenyl)ethynyl)trimethylsilane |
| MFCD01863664 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: InChIKey of 2-(3-bromophenyl)ethynyl-trimethylsilane is BXXMHQYHYOTTPM-UHFFFAOYSA-N. |
| Q: What English synonyms does 2-(3-bromophenyl)ethynyl-trimethylsilane have? |
| A: English synonyms of 2-(3-bromophenyl)ethynyl-trimethylsilane: [(3-bromophenyl)ethynyl](trimethyl)silane, meta-bromophenyltrimethylsilylacetylene, (2-(3-bromophenyl)ethynyl)trimethylsilane, MFCD01863664. |
| Q: What is the boiling point of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: Boiling point of 2-(3-bromophenyl)ethynyl-trimethylsilane is 80ºC0.2 mm Hg(lit.). |
| Q: What is the LogP of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: LogP of 2-(3-bromophenyl)ethynyl-trimethylsilane is 3.67800. |
| Q: What are the upstream materials of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: Related upstream materials(CAS) of 2-(3-bromophenyl)ethynyl-trimethylsilane: 591-18-4;1066-54-2;108-36-1;583-53-9;75-77-4;766-81-4. |
| Q: What is the molecular weight of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: Molecular weight of 2-(3-bromophenyl)ethynyl-trimethylsilane is 253.21000. |
| Q: What is the CAS number of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: CAS number of 2-(3-bromophenyl)ethynyl-trimethylsilane is 3989-13-7. |
| Q: What is the molecular formula of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: Molecular formula of 2-(3-bromophenyl)ethynyl-trimethylsilane is C11H13BrSi. |
| Q: What is the English name of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: The English name of 2-(3-bromophenyl)ethynyl-trimethylsilane is 2-(3-bromophenyl)ethynyl-trimethylsilane. |
| Q: What is the SMILES notation of 2-(3-bromophenyl)ethynyl-trimethylsilane? |
| A: SMILES notation of 2-(3-bromophenyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cccc(Br)c1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |