2-cloroacetamida - ≥99% , CAS No.79-07-2

CAS: 79-07-2 Cat. No.: C106072 Peso molecular: 93.51 Beilstein Registry Number: 878191 Número EC: 201-174-2

GRADE & PURITY ≥99%

Synonyms

AMY4113 | CHLORACETAMIDE | NSC54286 | NSC-54286 | Tox21_304037 | NCGC00357244-01 | F2190-0195 | monochloroacetamide | Acetamide, .alpha.-chloro- | HSDB 7449 | .alpha.-Chloroacetamide | .alpha.-Chloracetamide | FT-0611896 | Q209345 | USAF DO-29 | alpha-Chl

Storage

Room temperature

Shipped In

Normal

Descripción general

Reactivo para la síntesis de ésteres de carboxamidometilo como grupos protectores de carboxilo en la síntesis de péptidos

Specifications

Sinónimos

AMY4113 | CHLORACETAMIDE | NSC54286 | NSC-54286 | Tox21_304037 | NCGC00357244-01 | F2190-0195 | monochloroacetamide | Acetamide, .alpha.-chloro- | HSDB 7449 | .alpha.-Chloroacetamide | .alpha.-Chloracetamide | FT-0611896 | Q209345 | USAF DO-29 | alpha-Chl

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Agente herbicida. Inhibe la elongasa de ácidos grasos de cadena muy larga. Muestra efectos cancerígenos in vivo.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504751131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751131
• Sonrisas canónicas: C(C(=O)N)Cl
• IUPAC Name: 2-chloroacetamide
• InChIKey: VXIVSQZSERGHQP-UHFFFAOYSA-N
• INCHI: 1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
• Isómeros SMILES: C(C(=O)N)Cl
• WGK Alemania: 2
• RTECS: AB5075000
• Número ONU: 2811
• Peso molecular: 93.51
• Beilstein: 878191
• Reaxy-Rn: 878191
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878191&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 Chloroacetamides

• 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: Chloroacetamides
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroacetamide - Primary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chloroacetamides. These are organic compounds with the general formula RNHC(=O)CH2Cl, where R= organyl 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

Explore this target

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 methanol (100 mg/ml), absolute ethanol (10 part), diethyl ether (very slightly), water (90 mg/ml at 20 °C), and alcohol.
• Sensibilidad: Moisture Sensitive
• Punto de inflamación (°F): 338 °F
• Punto de inflamación (°C): 170℃
• Punto de ebullición (°C): 225°C
• Punto de fusión (°C): 116-118°C
• Peso molecular: 93.510 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.9981 Da
• Monoisotopic Mass: 92.9981 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. Hao Li, Qiong Wu, Ying Liu, Jinrong Bao.  (2023)  Acidity Quantification and Structure Analysis of Amide-AlCl3 Liquid Coordination Complexes for C4 Alkylation Catalysis.  MOLECULES,  28  (23): (7857).  [PMID:38067586] [10.3390/molecules28237857]

2. Jie-Ping Fan, Wen-Ya Dong, Xue-Hong Zhang, Jia-Xin Yu, Cong-Bo Huang, Li-Juan Deng, Hui-Ping Chen, Hai-Long Peng.  (2022)  Preparation and Characterization of Protein Molecularly Imprinted Poly (Ionic Liquid)/Calcium Alginate Composite Cryogel Membrane with High Mechanical Strength for the Separation of Bovine Serum Albumin.  MOLECULES,  27  (21): (7304).  [PMID:36364136] [10.3390/molecules27217304]

3. Ting Li, Hong Qu, Haibo Ding, Haiteng Deng, Yuling Chen.  (2022)  Profiling of proteome changes in plasma of HIV-infected patients receiving antiretroviral therapy.  Proteomics Clinical Applications,  16  (6): (2100099).  [PMID:35920599] [10.1002/prca.202100099]

4. Rulong Li, Huabin Xing, Qiwei Yang, Xu Zhao, Baogen Su, Zongbi Bao, Yiwen Yang, Qilong Ren.  (2012)  Selective Extraction of 1-Hexene Against n-Hexane in Ionic Liquids with or without Silver Salt.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/ie3001452]

5. Hongyu Zhang, Fengying Zhang, Antong Shi, Jiahan Yang, Zhehan Tu, Weixin Lin, Xue Bai, Gongduan Fan, Zhuwu Jiang.  (2025)  Electrocatalyst and mechanistic elucidation of NiMn-LDH/MnO2(NML)-Fe/C-N composite in 3D electrode system for enhanced degradation of halogenated organic disinfection byproducts.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40845444] [10.1016/j.jcis.2025.138677]