Dicamba-d , CAS No.349553-95-3

CAS: 349553-95-3 Cat. No.: D1445193 Peso molecular: 224.06 Número EC: 634-852-5 PubChem CID: 12877610

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Dicamba-d 3 is the deuterium labeled Methyl (3,4-dichlorophenyl)carbamate.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1C(=O)O)Cl)Cl
• IUPAC Name: 3,6-dichloro-2-(trideuteriomethoxy)benzoic acid
• InChIKey: IWEDIXLBFLAXBO-FIBGUPNXSA-N
• INCHI: 1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)/i1D3
• Isómeros SMILES: [2H]C([2H])([2H])OC1=C(C=CC(=C1C(=O)O)Cl)Cl
• WGK Alemania: 3
• PubChem CID: 12877610
• Peso molecular: 224.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 O-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: O-methoxybenzoic acids and derivatives
• Alternative Parents: Dichlorobenzoic acids 2-halobenzoic acids 3-halobenzoic acids Halobenzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Anisoles Benzoyl derivatives Dichlorobenzenes Methoxybenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2,5-dichlorobenzoic acid - O-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Benzoic acid - 1,4-dichlorobenzene - Phenoxy compound - Benzoyl - Anisole - Phenol ether - 1-carboxy-2-haloaromatic compound - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
• External Descriptors: Not available

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