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

CAS: 23950-58-5 Cat. No.: BWY397729 Summenformel: C₁₂H₁₁C_l2NO Molekulargewicht: 256.13 Beilstein Registry Number: 882391 EG-Nummer: 245-951-4

GRADE & PURITY 100μg/mL in Acetonitrile, 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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

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

Spezifikationen & Reinheit

100μg/mL in Acetonitrile, uncertainty 3%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528769389

Kanonisches Lächeln

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)

Isomere SMILES

CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl

UN-Nummer

3077

Verpackungsgruppe

III

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Halobenzoic acids and derivatives
          • Ebene6 3-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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