Propyzamide Solution in Methanol - 100μg/mL in Methanol, uncertainty 3% , CAS No.23950-58-5

CAS: 23950-58-5 Cat. No.: BWY397723 Fórmula: C₁₂H₁₁C_l2NO Peso molecular: 256.13 Beilstein Registry Number: 882391 Número CE: 245-951-4

GRADE & PURITY 100μg/mL in Methanol, uncertainty 3%

Synonyms

Propyzamide|23950-58-5|PRONAMIDE|3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide|3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide|KERB|Pronamid|3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide|Pronamide (Kerb)|KERB 50W|RH 315|3,5-Dichloro-N-(1,1-dimethylpr

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Propyzamide | 23950-58-5 | PRONAMIDE | 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide | 3,5-Dichloro-N-(1,1-dimethylpropynyl)benzamide | KERB | Pronamid | 3,5-Dichloro-N-(1,1-dimethyl-2-propynyl)benzamide | Pronamide (Kerb) | KERB 50W | RH 315 | 3,5-Dichloro-N-(1,1-dimethylpr

Especificações e pureza

100μg/mL in Methanol, uncertainty 3%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Sorrisos canónicos: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
• IUPAC Name: 3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
• InChIKey: PHNUZKMIPFFYSO-UHFFFAOYSA-N
• INCHI: 1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
• SMILES isoméricas: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
• Número UN: 3077
• Grupo de embalagem: III
• Peso molecular: 256.13
• Beilstein: 882391
• Reaxy-Rn: 882391
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=882391&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 3-halobenzoic acids and derivatives
• Alternative Parents: Benzamides Dichlorobenzenes Benzoyl derivatives Aryl chlorides Secondary carboxylic acid amides Acetylides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-halobenzoic acid or derivatives - Benzamide - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Acetylide - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
• External Descriptors: Amide herbicides

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

Alvos associados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Alvos associados (não humanos)

Allium cepa (293 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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Malva sylvestris (32 Activities)

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Cyperus rotundus (46 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 256.120 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 255.022 Da
• Monoisotopic Mass: 255.022 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 308.000
• 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

Perguntas frequentes

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 23950-58-5, the molecular formula is C12H11Cl2NO, and the molecular weight is 256.13 g/mol. InChIKey PHNUZKMIPFFYSO-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.