Sodium bromoacetate - ≥98% , CAS No.1068-52-6

CAS: 1068-52-6 Cat. No.: S124697 分子式: BrCH₂CO₂Na 分子量: 160.93 EC番号: 677-889-2 PubChem CID: 23675628

GRADE & PURITY ≥98%

Synonyms

SC10780 | SESSOVUNEZQNBV-UHFFFAOYSA-M | Sodium monobromoacetate | 8J155CK8PV | BROMOACETIC ACID SODIUM SALT;SODIUM BROMOACETATE;Sodium bromoacetate, ?BrCH2COONa | AS-57527 | FT-0696291 | ACETIC ACID, BROMO-, SODIUM SALT | E78239 | BAA06852 | Sodium2-bromo

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

SC10780 | SESSOVUNEZQNBV-UHFFFAOYSA-M | Sodium monobromoacetate | 8J155CK8PV | BROMOACETIC ACID SODIUM SALT;SODIUM BROMOACETATE;Sodium bromoacetate, ?BrCH2COONa | AS-57527 | FT-0696291 | ACETIC ACID, BROMO-, SODIUM SALT | E78239 | BAA06852 | Sodium2-bromo

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

504769606

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504769606

カノニカル・スマイル

C(C(=O)[O-])Br.[Na+]

IUPAC Name

sodium;2-bromoacetate

InChIKey

SESSOVUNEZQNBV-UHFFFAOYSA-M

INCHI

1S/C2H3BrO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1

異性体SMILES

C(C(=O)[O-])Br.[Na+]

RTECS

AF6475000

PubChem CID

23675628

分子量

160.93

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 acids
• Alternative Parents: Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Carboxylic acid salt - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Alkyl bromide - Alkyl halide - Organic salt - Organooxygen compound - Organobromide - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic cation - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha-halocarboxylic acids. These are carboxylic acids 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: Soluble in water.
• 感度: Hygroscopic
• 融点（°C）: >300°C
• 分子量: 160.930 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.914 Da
• Monoisotopic Mass: 159.914 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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: 2

XLogP3

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1068-52-6, the molecular formula is C2H2BrNaO2, and the molecular weight is 160.93 g/mol. InChIKey SESSOVUNEZQNBV-UHFFFAOYSA-M.

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.