2,3-Dichloroisobutyric Acid - ≥98% , CAS No.10411-52-6

CAS: 10411-52-6 Cat. No.: D155443 Peso molecular: 156.99 Número EC: 678-386-0

GRADE & PURITY ≥98%

Synonyms

NCIOpen2_001138 | 2,3-DICHLOROISOBUTYRIC ACID | 2,3-Dichloro-iso-butyric acid | FT-0694532 | SCHEMBL3226980 | alpha , beta -Dichloroisobutyric Acid | Propionic acid,3-dichloro-2-methyl- | W18728 | LRGIIZXVSULULZ-UHFFFAOYSA-N | .alpha.,.beta.-Dichloroisobu

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

NCIOpen2_001138 | 2, 3-DICHLOROISOBUTYRIC ACID | 2, 3-Dichloro-iso-butyric acid | FT-0694532 | SCHEMBL3226980 | alpha , beta -Dichloroisobutyric Acid | Propionic acid, 3-dichloro-2-methyl- | W18728 | LRGIIZXVSULULZ-UHFFFAOYSA-N | .alpha., .beta.-Dichloroisobu

Especificaciones y pureza

≥98%

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(CCl)(C(=O)O)Cl
• IUPAC Name: 2,3-dichloro-2-methylpropanoic acid
• InChIKey: LRGIIZXVSULULZ-UHFFFAOYSA-N
• INCHI: 1S/C4H6Cl2O2/c1-4(6,2-5)3(7)8/h2H2,1H3,(H,7,8)
• Isómeros SMILES: CC(CCl)(C(=O)O)Cl
• Peso molecular: 156.99
• Reaxy-Rn: 1702545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702545&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Alpha-halocarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Alpha-halocarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Alpha-halocarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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 alpha-halocarboxylic acids. These are carboxylic acids containing a halogen atom bonded to the alpha carbon atom.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.47
• Punto de inflamación (°C): 88 °C
• Punto de ebullición (°C): 113°C/15mmHg(lit.)
• Punto de fusión (°C): 18 °C
• Peso molecular: 156.990 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.974 Da
• Monoisotopic Mass: 155.974 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 104.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1