Adipaldehyde - ≥95%, 1M in water , CAS No.1072-21-5

CAS: 1072-21-5 Cat. No.: A302164 Peso molecular: 114.15

GRADE & PURITY ≥95%, 1M in water

Synonyms

Adipaldehyde|Hexanedial|1072-21-5|Adipic dialdehyde|6W2N7U6ZHE|adipindialdehyde|1,6-hexanedial|hexane-1,6-dial|EINECS 214-003-1|Adipaldehyde, 1M in water|UNII-6W2N7U6ZHE|SCHEMBL139711|2,4,6-TrichlorophenolSodiumSalt|DTXSID10147935|CHEBI:180386|LMFA0600000

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Adipaldehyde | Hexanedial | 1072-21-5 | Adipic dialdehyde | 6W2N7U6ZHE | adipindialdehyde | 1, 6-hexanedial | hexane-1, 6-dial | EINECS 214-003-1 | Adipaldehyde, 1M in water | UNII-6W2N7U6ZHE | SCHEMBL139711 | 2, 4, 6-TrichlorophenolSodiumSalt | DTXSID10147935 | CHEBI:180386 | LMFA0600000

Especificaciones y pureza

≥95%, 1M in water

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488184558
• Sonrisas canónicas: C(CCC=O)CC=O
• IUPAC Name: hexanedial
• InChIKey: UMHJEEQLYBKSAN-UHFFFAOYSA-N
• INCHI: 1S/C6H10O2/c7-5-3-1-2-4-6-8/h5-6H,1-4H2
• Isómeros SMILES: C(CCC=O)CC=O
• Peso molecular: 114.15
• Reaxy-Rn: 1633603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1633603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: Fatty aldehydes

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

• Punto de fusión (°C): -8°C
• Peso molecular: 114.140 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 114.068 Da
• Monoisotopic Mass: 114.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 58.900
• 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