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3-(Trimethylsilyl)propynoic acid - 95%, high purity , CAS No.5683-31-8

COA

Grade & Purity:

≥95%

Cas Number: 5683-31-8
Molecular Weight: 142.23
Beilstein Registry Number: 1755674
MDL number: MFCD00190216
PubChem CID: 2760863
PubChem SID: 504761587

In stock

Item Number

T124546

Grouped product items
SKU	Size	Availability	Price
T124546-100mg	100mg	3	$9.90
T124546-1g	1g	1	$68.90
T124546-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$299.90

Basic Description

Synonyms	3-(Trimethylsilyl)propiolic acid \| 5683-31-8 \| 3-(Trimethylsilyl)propynoic acid \| 3-trimethylsilylprop-2-ynoic Acid \| 3-trimethylsilylpropynoic acid \| MFCD00190216 \| 3-(TRIMETHYLSILYL)PROPIOLICACID \| Trimethylsilylpropiolic acid \| C6H10O2Si \| 2-Propynoic acid, 3-(trimethyl
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	3-(Trimethylsilyl)propynoic acid may be used in the regioselective preparation of 1,5-trisubstituted 1H-1,2,3-triazoles.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organometallic compounds
  - Class Organometalloid compounds
    - Subclass Organosilicon compounds
      - Level5 Alkylsilanes
        Level6 Trialkylsilanes

Kingdom	Organic compounds
Superclass	Organometallic compounds
Class	Organometalloid compounds
Subclass	Organosilicon compounds
Intermediate Tree Nodes	Alkylsilanes
Direct Parent	Trialkylsilanes
Alternative Parents	Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkylsilane - Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trialkylsilanes. These are organosilicon compounds containing exactly one alkyl chain attached to the silicon atom.
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

Pubchem Sid	504761587
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761587
IUPAC Name	3-trimethylsilylprop-2-ynoic acid
INCHI	InChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)
InChIKey	IPEATTYBFBRNEB-UHFFFAOYSA-N
Smiles	C[Si](C)(C)C#CC(=O)O
Isomeric SMILES	C[Si](C)(C)C#CC(=O)O
WGK Germany	3
PubChem CID	2760863
Molecular Weight	142.23
Beilstein	1755674

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
H2323036	Certificate of Analysis	Aug 30, 2023	T124546
H2323037	Certificate of Analysis	Aug 28, 2023	T124546

Chemical and Physical Properties

Flash Point(°F)	96 °C
Flash Point(°C)	96°C
Boil Point(°C)	105-110°C
Melt Point(°C)	47-49°C
Molecular Weight	142.230 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	142.045 Da
Monoisotopic Mass	142.045 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	176.000
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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