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(4-Bromophenylethynyl)trimethylsilane - 98%, high purity , CAS No.16116-78-2

COA

Grade & Purity:

≥98%

Cas Number: 16116-78-2
Molecular Weight: 253.21
MDL number: MFCD01863556
PubChem CID: 4226980

In stock

Item Number

B167681

Grouped product items
SKU	Size	Availability	Price
B167681-1g	1g	3	$27.90
B167681-5g	5g	3	$104.90
B167681-10g	10g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$161.90
B167681-25g	25g	3	$310.90
B167681-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,118.90

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organosilicon (33)

Basic Description

Synonyms	(4-Bromophenylethynyl)trimethylsilane \| (4-bromo-phenylethynyl)-trimethyl-silane \| AMY1241 \| SY083775 \| MFCD01863556 \| RNMSGCJGNJYDNS-UHFFFAOYSA-N \| BBL103201 \| AB10391 \| B6028 \| J-009794 \| STL557011 \| DS-5170 \| 2-(4-bromophenyl)ethynyl-trimethylsilane \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	(4-Bromophenylethynyl)trimethylsilane can be synthesized by the palladium catalyzed reaction between 4-bromo-1-iodobenzene and trimethylsilylacetylene. It undergoes Buchwald-Hartwig coupling with para-substituted diphenylamines. (4-Bromophenylethynyl)trimethylsilane may be used to synthesize: ? 1-bromo-4-ethynylbenzene ? 4-(4-bromophenyl)-3-butyn-2-one ? 4-ethynyl-4′-tert-butylbiphenyl ? 1,4-bis[2-(4-bromophenyl)ethynyl]-2,5-dihexylbenzene

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Trialkylsilanes Organic metalloid salts Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Trialkylsilane - Organic metalloid salt - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(4-bromophenyl)ethynyl-trimethylsilane
INCHI	InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKey	RNMSGCJGNJYDNS-UHFFFAOYSA-N
Smiles	C[Si](C)(C)C#CC1=CC=C(C=C1)Br
Isomeric SMILES	C[Si](C)(C)C#CC1=CC=C(C=C1)Br
WGK Germany	3
Molecular Weight	253.21
Reaxy-Rn	2830864
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2830864&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
A2225073	Certificate of Analysis	Nov 07, 2024	B167681
A2225027	Certificate of Analysis	Nov 07, 2024	B167681
A2225032	Certificate of Analysis	Nov 07, 2024	B167681
A2225031	Certificate of Analysis	Nov 07, 2024	B167681
L1810129	Certificate of Analysis	Jul 15, 2024	B167681
J2309077	Certificate of Analysis	Jan 05, 2022	B167681

Chemical and Physical Properties

Melt Point(°C)	62 °C
Molecular Weight	253.210 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	251.997 Da
Monoisotopic Mass	251.997 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	219.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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