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1,6-Hexylenediphosphonic Acid - >98.0%(T), high purity , CAS No.4721-22-6
Basic Description
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
Specifications & Purity
≥98%(T)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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
Description
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504761851
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504761851
IUPAC Name
6-phosphonohexylphosphonic acid
INCHI
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)
InChIKey
WDYVUKGVKRZQNM-UHFFFAOYSA-N
Smiles
C(CCCP(=O)(O)O)CCP(=O)(O)O
Isomeric SMILES
C(CCCP(=O)(O)O)CCP(=O)(O)O
Molecular Weight
246.14
Reaxy-Rn
1961626
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1961626&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic；Moisture sensitive
Melt Point(°C)
206 °C
Molecular Weight
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
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E2413296
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