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Methyl 3-bromopropiolate - ≥95%, high purity , CAS No.23680-40-2

COA

Grade & Purity:

≥95%

Cas Number: 23680-40-2
Molecular Weight: 162.97
EC Number: 868-303-8
PubChem CID: 294619

In stock

Item Number

M697213

Grouped product items
SKU	Size	Availability	Price
M697213-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
M697213-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$34.90
M697213-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$134.90
M697213-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives
      - Level5 Carboxylic acid esters
        Level6 Alpha,beta-unsaturated carboxylic esters
        Level7 Ynoate esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
Direct Parent	Ynoate esters
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Haloacetylenes and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Ynoate ester - Methyl ester - Haloacetylene or derivatives - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as ynoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C#CC(=O)OR2 (R2= organyl compound) in which the ester C=O function is conjugated to a C#C double bond at the alpha,beta position.
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	methyl 3-bromoprop-2-ynoate
INCHI	InChI=1S/C4H3BrO2/c1-7-4(6)2-3-5/h1H3
InChIKey	PITMUHRRCBFULF-UHFFFAOYSA-N
Smiles	COC(=O)C#CBr
Isomeric SMILES	COC(=O)C#CBr
Alternate CAS	23680-40-2
PubChem CID	294619
NSC Number	163453
Molecular Weight	162.97

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	162.970 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	161.932 Da
Monoisotopic Mass	161.932 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	127.000
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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