2-cyano-2,2-dimethylacetic acid - ≥98% , CAS No.22426-30-8

CAS: 22426-30-8 Cat. No.: C483479 Peso molecular: 113.1 Número EC: 810-620-0

GRADE & PURITY ≥98%

Synonyms

Propanoic acid, 2-cyano-2-methyl- | 2-cyano-2,2-dimethylacetic acid | J-509187 | AM807025 | XAA42630 | 2-cyano-2-methylpropanoicacid | EN300-42529 | DTXSID80463634 | dimethylcyanoacetic acid | DZDVNAVPCCNJRK-UHFFFAOYSA-N | SB35578 | SY042840 | MFCD1110021

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Propanoic acid, 2-cyano-2-methyl- | 2-cyano-2, 2-dimethylacetic acid | J-509187 | AM807025 | XAA42630 | 2-cyano-2-methylpropanoicacid | EN300-42529 | DTXSID80463634 | dimethylcyanoacetic acid | DZDVNAVPCCNJRK-UHFFFAOYSA-N | SB35578 | SY042840 | MFCD1110021

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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

• Pubchem Sid: 488197436
• Sonrisas canónicas: CC(C)(C#N)C(=O)O
• IUPAC Name: 2-cyano-2-methylpropanoic acid
• InChIKey: DZDVNAVPCCNJRK-UHFFFAOYSA-N
• INCHI: 1S/C5H7NO2/c1-5(2,3-6)4(7)8/h1-2H3,(H,7,8)
• Isómeros SMILES: CC(C)(C#N)C(=O)O
• Peso molecular: 113.1
• Reaxy-Rn: 1751112
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751112&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• Sensibilidad: Moisture Sensitive；air sensitive
• Punto de ebullición (°C): 132-135°/12mmHg
• Punto de fusión (°C): 56-61°C
• Peso molecular: 113.110 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 113.048 Da
• Monoisotopic Mass: 113.048 Da
• Topological Polar Surface Area: 61.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 151.000
• 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