Methyl α-bromoacrylate - ≥95% , CAS No.4519-46-4

CAS: 4519-46-4 Cat. No.: M467845 Summenformel: C₄H₅BrO₂ Molekulargewicht: 164.99 EG-Nummer: 689-567-9

GRADE & PURITY ≥95%

Synonyms

SCHEMBL600306 | Methyl alpha-bromoacrylate, 95% | AKOS015950954 | FT-0766267 | Methyl alpha -bromoacrylate | NSC24144 | NSC-24144 | Methyl alpha-bromoacrylate | MFCD08276754 | InChI=1/C4H5BrO2/c1-3(5)4(6)7-2/h1H2,2H | DTXSID00282086 | EN300-77113 | A-brom

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Description

Methyl α-bromoacrylate can undergo radical copolymerization with vinyl triacetoxysilane (VTAS) in the presence of azobisisobutyronitrile as the initiator. Dibromocyclopropanation of methyl α-bromoacrylate can yield methyl 1,1,2-tribromocyclopropanecarboxylate. It may be reduced with zinc dust and deuterium oxide to synthesize. Methyl acrylate-α-d with a high isotopic purity. These may undergo conjugate addition with methoxide, thiolates, oxime anions, hydrazones and EtZnCl to afford ester enolates.

Specifications

Synonyme

SCHEMBL600306 | Methyl alpha-bromoacrylate, 95% | AKOS015950954 | FT-0766267 | Methyl alpha -bromoacrylate | NSC24144 | NSC-24144 | Methyl alpha-bromoacrylate | MFCD08276754 | InChI=1/C4H5BrO2/c1-3(5)4(6)7-2/h1H2,2H | DTXSID00282086 | EN300-77113 | A-brom

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

COC(=O)C(=C)Br

IUPAC Name

methyl 2-bromoprop-2-enoate

InChIKey

HVJXPDPGPORYKY-UHFFFAOYSA-N

INCHI

1S/C4H5BrO2/c1-3(5)4(6)7-2/h1H2,2H3

Isomere SMILES

COC(=O)C(=C)Br

WGK Deutschland

3

Molekulargewicht

164.99

Reaxy-Rn

1743170

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Alpha,beta-unsaturated carboxylic esters
            • Ebene7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Methyl esters Alpha-halocarboxylic acid derivatives Vinyl bromides Monocarboxylic acids and derivatives Bromoalkenes Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Enoate ester - Monocarboxylic acid or derivatives - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= 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

Data sources

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

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 134.6 °F
• Flammpunkt (°C): 57 °C
• Siedepunkt (°C): 70-75 °C/48 mmHg
• Molekulargewicht: 164.990 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.947 Da
• Monoisotopic Mass: 163.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 97.900
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4519-46-4, the molecular formula is C4H5BrO2, and the molecular weight is 164.99 g/mol. InChIKey HVJXPDPGPORYKY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.