Dichlormid - ≥97% , CAS No.37764-25-3

CAS: 37764-25-3 Cat. No.: D108057 Formula: C₈H₁₁Cl₂NO Peso molecolare: 208.09 Beilstein Registry Number: 4(4)1064 Numero EC: 253-658-8

GRADE & PURITY ≥97%

Synonyms

E901J4382O | C18782 | CHEBI:81956 | FT-0639405 | N,N-Diallyl-2,3-dichloroacetamide | N,N-Diallyldichloroacetamide | 2,2-dichloro-N,N-di(prop-2-enyl)acetamide | DICHLORMID [MI] | InChI=1/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2 | N,N-Dially

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

E901J4382O | C18782 | CHEBI:81956 | FT-0639405 | N,N-Diallyl-2,3-dichloroacetamide | N,N-Diallyldichloroacetamide | 2,2-dichloro-N,N-di(prop-2-enyl)acetamide | DICHLORMID [MI] | InChI=1/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2 | N,N-Dially

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488183295
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183295
• Sorrisi canonici: C=CCN(CC=C)C(=O)C(Cl)Cl
• IUPAC Name: 2,2-dichloro-N,N-bis(prop-2-enyl)acetamide
• InChIKey: YRMLFORXOOIJDR-UHFFFAOYSA-N
• INCHI: 1S/C8H11Cl2NO/c1-3-5-11(6-4-2)8(12)7(9)10/h3-4,7H,1-2,5-6H2
• Isomeri SMILES: C=CCN(CC=C)C(=O)C(Cl)Cl
• WGK Germania: 3
• RTECS: AB6080000
• Peso molecolare: 208.09
• Beilstein: 4(4)1064
• Reaxy-Rn: 1768843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768843&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 Tertiary 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: Tertiary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary 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 tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• External Descriptors: Pesticides

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5
• Punto di infiammabilità (°C): 107 °C
• Punto di ebollizione (°C): 118 °C/2 mmHg
• Peso molecolare: 208.080 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 207.022 Da
• Monoisotopic Mass: 207.022 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 170.000
• 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. Xiaojia Chen, Jingzhi Yao, Yu Ma, Yuanyuan Fang, Wenxin Wang, Xiaojun Deng, Ling Tan, Yi-Jun Fan, Mingliang Fang.  (2024)  Rapid Screening of Chemicals with Placental Transfer Risk Using Interpretable Machine Learning.  Environmental Science & Technology Letters,      [PMID:] [10.1021/acs.estlett.4c00413]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 37764-25-3, the molecular formula is C8H11Cl2NO, and the molecular weight is 208.09 g/mol. InChIKey YRMLFORXOOIJDR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.