Methyl 2-bromopropionate - ≥97% , CAS No.5445-17-0

CAS: 5445-17-0 Cat. No.: M117975 Summenformel: C₄H₇BrO₂ Molekulargewicht: 167 Beilstein Registry Number: 1720592 EG-Nummer: 226-642-3

QUALITÄT & REINHEIT ≥97%

Synonyms

Methyl 2-bromopropionate | methyl 2-bromo-propionate | methyl 2-brompropanoate | Methyl 2-bromopropionate, analytical standard | Propanoic acid, 2-bromo-, methyl ester | 2-Bromopropionic acid methyl ester | 2-bromo-propionic acid methyl ester | BP-20549 |

Storage

Room temperature

Shipped In

Normal

Übersicht

Usually used as initiator during the synthesis of polymer brushes with single-walled carbon nanotubes as backbones.And also can be used as starting reagent for the synthesis of 2-18F-fluoropropionic acid, positron emission tomography imaging agent for prostate cancer.

Spezifikationen

Synonyme

Methyl 2-bromopropionate | methyl 2-bromo-propionate | methyl 2-brompropanoate | Methyl 2-bromopropionate, analytical standard | Propanoic acid, 2-bromo-, methyl ester | 2-Bromopropionic acid methyl ester | 2-bromo-propionic acid methyl ester | BP-20549 |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504756277

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756277

Kanonisches Lächeln

CC(C(=O)OC)Br

IUPAC Name

methyl 2-bromopropanoate

InChIKey

ACEONLNNWKIPTM-UHFFFAOYSA-N

INCHI

1S/C4H7BrO2/c1-3(5)4(6)7-2/h3H,1-2H3

Isomere SMILES

CC(C(=O)OC)Br

WGK Deutschland

3

UN-Nummer

2920

Molekulargewicht

167

Beilstein

1720592

Reaxy-Rn

1720592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1720592&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 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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

• Löslichkeit: Insoluble in water.
• Brechungsindex: 1.451
• Flammpunkt (°F): 125.6 °F
• Flammpunkt (°C): 52 °C
• Siedepunkt (°C): 51°C
• Molekulargewicht: 167.000 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 165.963 Da
• Monoisotopic Mass: 165.963 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5445-17-0, the molecular formula is C4H7BrO2, and the molecular weight is 167 g/mol. InChIKey ACEONLNNWKIPTM-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.