Ethyl 2-bromopropionate - ≥98% , CAS No.535-11-5

CAS: 535-11-5 Cat. No.: E106089 分子式: C₅H₉BrO₂ 分子量: 181.03 Beilstein Registry Number: 773920 EC番号: 208-609-5

GRADE & PURITY ≥98%

Synonyms

(+/-)-ETHYL .ALPHA.-BROMOPROPIONATE | 2-bromopropionic acid ethylester | EINECS 255-601-2 | ETHYL .ALPHA.-BROMOPROPIONATE [MI] | .alpha.-Bromopropionic acid ethyl ester | Ethyl (1)-2-bromopropionate | ethyl 2-bromoproionate | Ethyl 2-bromopropanoate | eth

Storage

Room temperature

Shipped In

Normal

概要

ItÂ’s an important organic intermediate can be used in agrochemical, pharmaceutical synthesis and dyestuff field.

Specifications

同義語

(+/-)-ETHYL .ALPHA.-BROMOPROPIONATE | 2-bromopropionic acid ethylester | EINECS 255-601-2 | ETHYL .ALPHA.-BROMOPROPIONATE [MI] | .alpha.-Bromopropionic acid ethyl ester | Ethyl (1)-2-bromopropionate | ethyl 2-bromoproionate | Ethyl 2-bromopropanoate | eth

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488185666

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185666

カノニカル・スマイル

CCOC(=O)C(C)Br

IUPAC Name

ethyl 2-bromopropanoate

InChIKey

ARFLASKVLJTEJD-UHFFFAOYSA-N

INCHI

1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

異性体SMILES

CCOC(=O)C(C)Br

WGKドイツ

3

RTECS

UA2451730

UN番号

2920

包装グループ

II

分子量

181.03

Beilstein

773920

Reaxy-Rn

773920

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773920&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acid derivatives
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid derivative - Carboxylic acid ester - 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
• 説明: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acid derivatives. These are carboxylic acid derivatives containing a halogen atom bonded to the alpha carbon atom.
• 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

化学的性質と物理的性質

• 溶解度: Immiscible in water. Soluble in alcohol and ether.
• 感度: light sensitive
• 屈折率: 1.449
• 引火点（°F）: 123.8 °F
• 引火点（°C）: 51℃
• 沸点（°C）: 156-160°C
• 分子量: 181.030 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 179.979 Da
• Monoisotopic Mass: 179.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.500
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 535-11-5, the molecular formula is C5H9BrO2, and the molecular weight is 181.03 g/mol. InChIKey ARFLASKVLJTEJD-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.