2，2-Dichloroacetamide - ≥97% , CAS No.683-72-7

CAS: 683-72-7 Cat. No.: D137671 Formula: C₂H₃Cl₂NO Peso molecolare: 127.95 Beilstein Registry Number: 2205 Numero EC: 211-674-2

GRADE & PURITY ≥97%

Synonyms

Acetamide, 2,2-dichloro- | DTXCID301561 | D89626 | EN300-66582 | Q5272474 | DTXSID8021561 | STL163868 | AKOS005715852 | Dichloroacetamide | EINECS 211-674-2 | FT-0626986 | SY049540 | AI3-60126 | NSC402025 | NSC-402025 | 4-02-00-00505 (Beilstein Handbook R

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Acetamide, 2,2-dichloro- | DTXCID301561 | D89626 | EN300-66582 | Q5272474 | DTXSID8021561 | STL163868 | AKOS005715852 | Dichloroacetamide | EINECS 211-674-2 | FT-0626986 | SY049540 | AI3-60126 | NSC402025 | NSC-402025 | 4-02-00-00505 (Beilstein Handbook R

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488181716
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181716
• Sorrisi canonici: C(C(=O)N)(Cl)Cl
• IUPAC Name: 2,2-dichloroacetamide
• InChIKey: WCGGWVOVFQNRRS-UHFFFAOYSA-N
• INCHI: 1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)
• Isomeri SMILES: C(C(=O)N)(Cl)Cl
• RTECS: AB6475000
• Peso molecolare: 127.95
• Beilstein: 2205
• Reaxy-Rn: 1743236
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743236&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe 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
• Classe: 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 Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• 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 - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrizione: 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

Obiettivi associati (umani)

EPHX1 Tchem Epoxide hydrolase 1 (644 Activities)

Discover Target: EPHX1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 234 °C
• Punto di fusione (°C): 99 °C
• Peso molecolare: 127.950 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.959 Da
• Monoisotopic Mass: 126.959 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 62.600
• 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

Riferimenti

1. Feilong Dong, Peifeng Zhang, Jiayi Cheng, Jianing Chen, Tao Liu, Xiaoyan Ma, Shuang Song, Shuangxi Nie.  (2023)  Triboelectric-photocatalytic coupling enhanced photogenerated electrons and holes utilization for efficient algal inactivation.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2023.108977]

2. Yang Yang, Wei Ma, Baiyang Chen, Chong Peng, Wang Luo, Huan He.  (2022)  Determining haloacetic acids in drinking water by one-pump column-switching ion chromatography: An online and cost-effective tool for matrix removal and sample enrichment.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2022.107997]

3. Huihui Zhao, Linyan Yang, Xueming Chen, Lankun Cai, Yejin Li, Mei Sheng, Guomin Cao, Qianhong She.  (2020)  Magnesium-Induced Variation of Polyamide Membrane Behavior for the Treatment of Haloacetic Acids in Swimming Pool Waters.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.0c00111]

4. Huihui Zhao, Linyan Yang, Yejin Li, Weibo Xue, Kai Li, Yingqi Xie, Shujuan Meng, Guomin Cao.  (2020)  Environmental occurrence and risk assessment of haloacetic acids in swimming pool water and drinking water.  RSC Advances,  10  (47): (28267-28276).  [PMID:35519123] [10.1039/D0RA02389B]

5. Lei Wang, Yanan Sun, Baiyang Chen.  (2018)  Rejection of haloacetic acids in water by multi-stage reverse osmosis: Efficiency, mechanisms, and influencing factors.  WATER RESEARCH,      [PMID:30056322] [10.1016/j.watres.2018.07.045]

6. Jinxiu Lou, Lu Yin, Feilong Dong, Zhanfei He, Huijie Lu, Shuangxi Fang, Xiangliang Pan.  (2024)  Wane-and-wax mechanism of nitrogenous disinfection byproducts with constant Cl/N peak under UV/chlorine treatment: Implication for new drinking water disinfection strategy.  WATER RESEARCH,      [PMID:39476780] [10.1016/j.watres.2024.122651]