Propyzamide Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.23950-58-5

CAS: 23950-58-5 Cat. No.: P128277 分子式: C₁₂H₁₁C_l2NO 分子量: 256.13 Beilstein Registry Number: 882391 EC番号: 245-951-4

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

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 -20°C

Shipped In

Ice chest + Ice pads

概要

Pesticides Single Component Standards

Specifications

同義語

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

仕様と純度

1000ug/ml in Purge and Trap Methanol

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• カノニカル・スマイル: 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)
• 異性体SMILES: CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl
• UN番号: 3077
• 包装グループ: III
• 分子量: 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
    • 分類 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
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 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