Bromoacetic acid-2-¹³C - ≥99 atom% 13C,≥98% , CAS No.64891-77-6

CAS: 64891-77-6 Cat. No.: B473943 Summenformel: Br¹³CH₂CO₂H Molekulargewicht: 139.94 EG-Nummer: 685-270-3

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Bromoacetic acid-2-13C, 99 atom % 13C | BROMOACETIC-2-13CACID | DTXSID10444597 | bromoacetic-2-13c acid | SCHEMBL1332022

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

Bromoacetic acid-2-13C, 99 atom % 13C | BROMOACETIC-2-13CACID | DTXSID10444597 | bromoacetic-2-13c acid | SCHEMBL1332022

Spezifikationen & Reinheit

≥99 atom% 13C,≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥99 atom% 13C,≥98%

Namen und Kennungen

Kanonisches Lächeln

C(C(=O)O)Br

IUPAC Name

2-bromoacetic acid

InChIKey

KDPAWGWELVVRCH-OUBTZVSYSA-N

INCHI

1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1+1

Isomere SMILES

[13CH2](C(=O)O)Br

WGK Deutschland

2

Alternative CAS-Nummer

79-08-3(Unlabeled)

Molekulargewicht

139.94

Reaxy-Rn

506167

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506167&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - 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 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive；Light sensitive
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 208 °C (lit.)
• Schmelzpunkt (°C): 47-49 °C (lit.)
• Molekulargewicht: 139.940 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.935 Da
• Monoisotopic Mass: 138.935 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• Isotope Atom Count: 1
• 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 isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. 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, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 64891-77-6, the molecular formula is Br13CH2CO2H, and the molecular weight is 139.94 g/mol. InChIKey KDPAWGWELVVRCH-OUBTZVSYSA-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.