1,6-Hexylenediphosphonic Acid - ≥98%(T) , CAS No.4721-22-6

CAS: 4721-22-6 Cat. No.: H157411 Peso molecular: 246.14 Número EC: 811-090-3

GRADE & PURITY ≥98%(T)

Synonyms

BP-21699 | H1536 | Hexane-1,6-bisphosphonic Acid | 1,6-Hexanebisphosphonic acid | C70635 | HY-140326 | (6-phosphonohexyl)phosphonic acid | 1,6-Hexylenediphosphonic Acid | EN300-7403049 | MFCD01630742 | hexamethylenediphosphonic acid | HEXANE-1,6-DIYLDIPHO

Storage

Argon charged,Room temperature

Shipped In

Normal

Application

227,228,229

Specifications

Sinónimos

BP-21699 | H1536 | Hexane-1, 6-bisphosphonic Acid | 1, 6-Hexanebisphosphonic acid | C70635 | HY-140326 | (6-phosphonohexyl)phosphonic acid | 1, 6-Hexylenediphosphonic Acid | EN300-7403049 | MFCD01630742 | hexamethylenediphosphonic acid | HEXANE-1, 6-DIYLDIPHO

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504761851
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761851
• Sonrisas canónicas: C(CCCP(=O)(O)O)CCP(=O)(O)O
• IUPAC Name: 6-phosphonohexylphosphonic acid
• InChIKey: WDYVUKGVKRZQNM-UHFFFAOYSA-N
• INCHI: 1S/C6H16O6P2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)
• Isómeros SMILES: C(CCCP(=O)(O)O)CCP(=O)(O)O
• Peso molecular: 246.14
• Reaxy-Rn: 1961626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1961626&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Organic phosphonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic；Moisture sensitive
• Punto de fusión (°C): 206 °C
• Peso molecular: 246.140 g/mol
• XLogP3: -2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 246.042 Da
• Monoisotopic Mass: 246.042 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 215.000
• 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