Allidochlor Solution in methanol - 100μg/mL in methanol,Uncertainty:3% , CAS No.93-71-0

CAS: 93-71-0 Cat. No.: BWY395924 Fórmula: C₈H₁₂ClNO Peso molecular: 173.64 Beilstein Registry Number: 1761616 Número EC: 202-270-7

CALIDAD & PUREZA 100μg/mL in methanol,Uncertainty:3%

Synonyms

CDAA | F2158-1328 | HSDB 1560 | 2-chloro-N,N-bis(prop-2-enyl)acetamide | Alidochlore | Allidochlor, PESTANAL(R), analytical standard | Caswell No. 284 | SCHEMBL53540 | Alidochlor | ALLIDOCHLOR [HSDB] | CP-6343 | UNII-2E0WF154QR | Q17310226 | EINECS 202-27

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

CDAA | F2158-1328 | HSDB 1560 | 2-chloro-N,N-bis(prop-2-enyl)acetamide | Alidochlore | Allidochlor, PESTANAL(R), analytical standard | Caswell No. 284 | SCHEMBL53540 | Alidochlor | ALLIDOCHLOR [HSDB] | CP-6343 | UNII-2E0WF154QR | Q17310226 | EINECS 202-27

Especificaciones y pureza

100μg/mL in methanol,Uncertainty:3%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Sonrisas canónicas

C=CCN(CC=C)C(=O)CCl

IUPAC Name

2-chloro-N,N-bis(prop-2-enyl)acetamide

InChIKey

MDBGGTQNNUOQRC-UHFFFAOYSA-N

INCHI

1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2

Isómeros SMILES

C=CCN(CC=C)C(=O)CCl

WGK Alemania

3

Número ONU

2996

Grupo de embalaje

I

Peso molecular

173.64

Beilstein

1761616

Reaxy-Rn

1761616

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Chloroacetamides Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Chloroacetamide - 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
• Descripción: 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: 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.4932
• Punto de inflamación (°C): >100°C
• Punto de fusión (°C): 115-117°C
• Peso molecular: 173.640 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 173.061 Da
• Monoisotopic Mass: 173.061 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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

Preguntas frecuentes

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 93-71-0, the molecular formula is C8H12ClNO, and the molecular weight is 173.64 g/mol. InChIKey MDBGGTQNNUOQRC-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.