Bromoacetic acid(MBAA) - for synthesis, used for Bromoacetic acid induces neurogenic injury in the chicken brain Delayed local chemical burns following dermal exposure to bromoacetic acid Toxicity Effect of Bromoacetic Acid on MCF7 Breast Cancer Cell Line

CAS: 79-08-3 Cat. No.: B434194 Summenformel: C₂H₃BrO₂ Molekulargewicht: 138.95 Beilstein Registry Number: 506167 EG-Nummer: 201-175-8

GRADE & PURITY for Synthesis

Synonyms

BXA | Tox21_200657 | 2-bromo acetic acid | NCGC00258211-01 | STL481895 | .alpha.-Bromoacetic acid | BROMOACETIC ACID | Bromo-acetic acid | Bromoacetic acid 1000 microg/mL in Methyl-tert-butyl ether | Caswell No. 112A | DTXSID7021495 | NCGC00091467-02 | al

Storage

Room temperature

Shipped In

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Specifications

Synonyme

BXA | Tox21_200657 | 2-bromo acetic acid | NCGC00258211-01 | STL481895 | .alpha.-Bromoacetic acid | BROMOACETIC ACID | Bromo-acetic acid | Bromoacetic acid 1000 microg/mL in Methyl-tert-butyl ether | Caswell No. 112A | DTXSID7021495 | NCGC00091467-02 | al

Spezifikationen & Reinheit

for synthesis

Anmeldung

Bromoacetic acid induces neurogenic injury in the chicken brain Delayed local chemical burns following dermal exposure to bromoacetic acid Toxicity Effect of Bromoacetic Acid on MCF7 Breast Cancer Cell Line

Storage

Room temperature

Verschickt in

FedEx DG Service

Note

zur Synthese

Namen und Kennungen

Pubchem Sid

504751032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751032

Kanonisches Lächeln

C(C(=O)O)Br

IUPAC Name

2-bromoacetic acid

InChIKey

KDPAWGWELVVRCH-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C(C(=O)O)Br

WGK Deutschland

2

RTECS

AF5950000

UN-Nummer

3425

Verpackungsgruppe

II

Molekulargewicht

138.95

Beilstein

506167

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: Halogenated fatty acids

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

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

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Salmonella typhimurium (15756 Activities)

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Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 110℃
• Siedepunkt (°C): 208°C
• Schmelzpunkt (°C): 50°C
• Molekulargewicht: 138.950 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.932 Da
• Monoisotopic Mass: 137.932 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• 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