Hexylphosphonic Acid - ≥98%(T) , CAS No.4721-24-8

CAS: 4721-24-8 Cat. No.: H157410 Formula: C₆H₁₅O₃P Molecular Weight: 166.16 EC Number: 811-094-5

GRADE & PURITY ≥98%(T)

Synonyms

AS-57736 | DTXSID50963772 | NSC222656 | NSC-222656 | Hexylphosphonic acid, 95% | FT-0635409 | MFCD00013961 | N-HEXYLPHOSPHONICACID | n-Hexylphosphonic acid | SCHEMBL121170 | Alkyl Phosphonic Acid C6 | H1551 | SY048258 | T72503 | hexylphosphonic acid | F00

Storage

Room temperature

Shipped In

Normal

Overview

Hexylphosphonic acid(HPA) is a phosphonic acid derivative that can be used as a capping agent and a surfactant

Specifications

Synonyms

AS-57736 | DTXSID50963772 | NSC222656 | NSC-222656 | Hexylphosphonic acid, 95% | FT-0635409 | MFCD00013961 | N-HEXYLPHOSPHONICACID | n-Hexylphosphonic acid | SCHEMBL121170 | Alkyl Phosphonic Acid C6 | H1551 | SY048258 | T72503 | hexylphosphonic acid | F00

Specifications & Purity

≥98%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

Pubchem Sid

488189433

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189433

Canonical Smiles

CCCCCCP(=O)(O)O

IUPAC Name

hexylphosphonic acid

InChIKey

GJWAEWLHSDGBGG-UHFFFAOYSA-N

INCHI

1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)

Isomeric SMILES

CCCCCCP(=O)(O)O

Molecular Weight

166.16

Reaxy-Rn

1756554

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756554&ln=

Taxonomic Classification

Taxonomy Tree

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

• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 105-106°C
• Molecular Weight: 166.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 166.076 Da
• Monoisotopic Mass: 166.076 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• 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

Frequently Asked Questions

How should this product be stored?

Store in a cool place.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4721-24-8, the molecular formula is C6H15O3P, and the molecular weight is 166.16 g/mol. InChIKey GJWAEWLHSDGBGG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.