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

CAS: 79-07-2 Cat. No.: C106072 Molecular Weight: 93.51 Beilstein Registry Number: 878191 EC Number: 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

Overview

Reagent for the synthesis of carboxamidomethyl esters as carboxyl protecting groups in peptide synthesis

Specifications

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Herbicidal agent. Inhibits very-long-chain fatty acid elongase. Shows carcinogenic effects in vivo.

Storage

Room temperature

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504751131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751131
• Canonical Smiles: 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)
• Isomeric SMILES: C(C(=O)N)Cl
• WGK Germany: 2
• RTECS: AB5075000
• UN Number: 2811
• Molecular Weight: 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
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Chloroacetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol (100 mg/ml), absolute ethanol (10 part), diethyl ether (very slightly), water (90 mg/ml at 20 °C), and alcohol.
• Sensitivity: Moisture Sensitive
• Flash Point(°F): 338 °F
• Flash Point(°C): 170℃
• Boil Point(°C): 225°C
• Melt Point(°C): 116-118°C
• Molecular Weight: 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

References

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]