2-Bromoacetamide - ≥98%(GC) , CAS No.683-57-8

CAS: 683-57-8 Cat. No.: B139173 Peso molecular: 137.96 Beilstein Registry Number: 1739073 Número EC: 614-427-0

GRADE & PURITY ≥98%(GC)

Synonyms

F8889-4005 | 4-02-00-00530 (Beilstein Handbook Reference) | bromo acetamide | HY-W007330 | 2-bromo acetamide | 2-Bromoacetamide | 2-Bromo-acetamide | BRN 1739073 | FT-0611517 | C2H4BrNO | BDBM50226203 | .ALPHA.-BROMOACETAMIDE | InChI=1/C2H4BrNO/c3-1-2(4)5

Storage

Room temperature

Shipped In

Normal

Descripción general

Precursor to dehydropeptidase I inactivator.

Specifications

Sinónimos

F8889-4005 | 4-02-00-00530 (Beilstein Handbook Reference) | bromo acetamide | HY-W007330 | 2-bromo acetamide | 2-Bromoacetamide | 2-Bromo-acetamide | BRN 1739073 | FT-0611517 | C2H4BrNO | BDBM50226203 | .ALPHA.-BROMOACETAMIDE | InChI=1/C2H4BrNO/c3-1-2(4)5

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184372
• Sonrisas canónicas: C(C(=O)N)Br
• IUPAC Name: 2-bromoacetamide
• InChIKey: JUIKUQOUMZUFQT-UHFFFAOYSA-N
• INCHI: 1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)
• Isómeros SMILES: C(C(=O)N)Br
• WGK Alemania: 3
• RTECS: AB4587000
• Peso molecular: 137.96
• Beilstein: 1739073
• Reaxy-Rn: 1739073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1739073&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Primary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Primary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
• 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol
• Punto de fusión (°C): 98℃
• Peso molecular: 137.960 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.948 Da
• Monoisotopic Mass: 136.948 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 44.900
• 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

Referencias

1. Dong Li, Wen Cheng, Jiehui Ren, Lu Qin, Xing Zheng, Tian Wan, Min Wang.  (2022)  In vitro toxicity assessment of haloacetamides via a toxicogenomics assay.  ENVIRONMENTAL TOXICOLOGY AND PHARMACOLOGY,      [PMID:36455839] [10.1016/j.etap.2022.104026]

2. Lubin Qi, Yanjun Gong, Ming Fang, Zhiwei Jia, Ni Cheng, Li Yu.  (2019)  Surface-Active Ionic-Liquid-Encapsulated Polyoxometalate Nanospheres: Construction, Self-Assembly, Adsorption Behavior, and Application for Dye Removal.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.9b02012]

3. Yongxian Guo, Jie Lu, Qi Kang, Ming Fang, Li Yu.  (2018)  Fabrication of Biocompatible, Luminescent Supramolecular Structures and Their Applications in the Detection of Dopamine.  LANGMUIR,      [PMID:30001135] [10.1021/acs.langmuir.8b01548]

4. Shen-neng Wang, Xiao-yi Wu, Zhen-ni Yi, Fang Yang, Gang Song, Meng-hao Wang, Jia-yu Liu, Zi-yun Guo, Di-yun Chen, Jia-ping Lai, Hui Sun.  (2024)  Highly sensitive, environmental-friendly and rapid visual detection of uranium using a novel fluorescent fiber-optical sensing system based on aggregation-induced emission with bovine serum albumin as sensitizing agent.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.112274]

5. Ni Cheng, Qi Kang, Jianhong Xiao, Na Du, Li Yu.  (2017)  Supramolecular gels: using an amide-functionalized imidazolium-based surfactant.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:29028572] [10.1016/j.jcis.2017.10.009]

6. Ya-Qi Wang, Qing He, Zhi-Yang Zhang, Lei Zhang, Na-Juan Yuan, Yong Liu, Hai-Tao Ren, Xu Han.  (2025)  Direct synthesis of low-molecular-weight poly(2,6-dimethyl-1,4-phenylene oxide) (LMW-PPO) by Cu(II)-ionic liquids.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128556]