Methyl bromoacetate - ≥97% , CAS No.96-32-2

CAS: 96-32-2 Cat. No.: M106900 Formula: C₃H₅BrO₂ Molecular Weight: 152.97 Beilstein Registry Number: 506256 EC Number: 202-499-2

GRADE & PURITY ≥97%

Synonyms

2-bromoacetic acid methyl ester | 2-bromo-acetic acid methyl ester | AKOS009158462 | BCP06456 | BrCH2COOCH3 | FT-0628707 | methylbromo-acetate | UN 2643 | Methyl bromoacetate | methyl -bromoacetate | methyl bromo-acetate | F2190-0277 | monobromo acetic ac

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

Methyl bromoacetate was used in the synthesis of novel coumarins. It was also employed in the synthesis of cis-cyclopropanes

Specifications

Synonyms

2-bromoacetic acid methyl ester | 2-bromo-acetic acid methyl ester | AKOS009158462 | BCP06456 | BrCH2COOCH3 | FT-0628707 | methylbromo-acetate | UN 2643 | Methyl bromoacetate | methyl -bromoacetate | methyl bromo-acetate | F2190-0277 | monobromo acetic ac

Specifications & Purity

≥97%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥97%

Names and Identifiers

Pubchem Sid

488183414

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183414

Canonical Smiles

COC(=O)CBr

IUPAC Name

methyl 2-bromoacetate

InChIKey

YDCHPLOFQATIDS-UHFFFAOYSA-N

INCHI

1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3

Isomeric SMILES

COC(=O)CBr

WGK Germany

3

RTECS

AF6300000

UN Number

2643

Packing Group

II

Molecular Weight

152.97

Beilstein

506256

Reaxy-Rn

506256

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506256&ln=

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 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (very slightly), methanol, ether, and acetone
• Sensitivity: Light &air sensitive
• x_refractive_index: 1.458
• x_flash_point_drop_fahrenheit: 147.2 °F
• x_flash_point_drop_centigrade: 62℃
• x_boil_point_char: 51-52°C
• Molecular Weight: 152.970 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.947 Da
• Monoisotopic Mass: 151.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• 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

Frequently Asked Questions

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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

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

The CAS Number is 96-32-2, the molecular formula is C3H5BrO2, and the molecular weight is 152.97 g/mol. InChIKey YDCHPLOFQATIDS-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.