3-Phosphonopropionic acid - ≥94% , CAS No.5962-42-5

CAS: 5962-42-5 Cat. No.: P113856 Molecular Weight: 154.06 EC Number: 227-738-8

GRADE & PURITY ≥94%

Synonyms

2-Carboxyethanephosphonic acid | 1iig | EINECS 227-738-8 | (2-Carboxyethyl)phosphonic Acid | 3-phosphopropionate | beta-Phosphonopropionic acid | CEPA cpd | CHEMBL1088324 | 8DM1R7808M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Carboxyethanephosphonic acid | 1iig | EINECS 227-738-8 | (2-Carboxyethyl)phosphonic Acid | 3-phosphopropionate | beta-Phosphonopropionic acid | CEPA cpd | CHEMBL1088324 | 8DM1R7808M

Specifications & Purity

≥94%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥94%

Names and Identifiers

• Canonical Smiles: C(CP(=O)(O)O)C(=O)O
• IUPAC Name: 3-phosphonopropanoic acid
• InChIKey: NLBSQHGCGGFVJW-UHFFFAOYSA-N
• INCHI: 1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
• Isomeric SMILES: C(CP(=O)(O)O)C(=O)O
• WGK Germany: 3
• RTECS: UA2558437
• UN Number: 3261
• Molecular Weight: 154.06
• Reaxy-Rn: 1768923
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1768923&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: Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - 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

Associated Targets(non-human)

Fe(3+)-Zn(2+) purple acid phosphatase (65 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water。
• Sensitivity: Moisture sensitive
• Flash Point(°F): 302 °F
• Flash Point(°C): 150℃
• Melt Point(°C): 165-166°C
• Molecular Weight: 154.060 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 154.003 Da
• Monoisotopic Mass: 154.003 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 146.000
• 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

References

1. Chao Fu, Liting Wu, Chenchen Wang, Yanchun Gao, Zhixiang Zeng, Tianhui Ren, Yadong Zhang.  (2023)  Designing organic-inorganic hybrid coating from composite and structures for the tribological property and corrosion resistance of Mg alloys.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2023.109042]

2. Cairong Li, Wei Zhang, Ruiqi Wang, Xiang-Fu Du, Dongchun Jiang, Ben Liu, Yangyi Nie, Jiaxin Liao, Yingqi Chen, Xingjie Liang, Ling Qin, Yuxiao Lai.  (2022)  Nanocomposite multifunctional hydrogel for suppressing osteosarcoma recurrence and enhancing bone regeneration.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.134896]

3. Biao Yuan, Bing Jiang, Han Li, Xiao Xu, Fei Li, David Julian McClements, Chongjiang Cao.  (2021)  Interactions between TiO2 nanoparticles and plant proteins: Role of hydrogen bonding.  FOOD HYDROCOLLOIDS,      [PMID:] [10.1016/j.foodhyd.2021.107302]

4. Yingqi Chen, Cairong Li, Zhenming Wang, Jing Long, Ruiqi Wang, Jin Zhao, Wanze Tang, Yu Zhao, Ling Qin, Songlin Peng, Yuxiao Lai.  (2021)  Self-assembled nanocomposite hydrogels enhanced by nanoparticles phosphonate-magnesium coordination for bone regeneration.  Applied Materials Today,      [PMID:] [10.1016/j.apmt.2021.101182]

5. Yingqi Chen, Anjaneyulu Udduttula, Xuelin Xie, Meng Zhou, Weibei Sheng, Fei Yu, Jian Weng, Deli Wang, Bin Teng, Geetha Manivasagam, Jian V. Zhang, Pei-Gen Ren, Bin Kang, Hui Zeng.  (2021)  A novel photocrosslinked phosphate functionalized Chitosan-Sr5(PO4)2SiO4 composite hydrogels and in vitro biomineralization, osteogenesis, angiogenesis for bone regeneration application.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2021.109057]

6. Chengwei Zhou, Fan Wu, Yonggong Tang, Boyuan Chai, Jiaxin Liang, Jiangang Han, Weinan Xing, Yudong Huang, Guangyu Wu.  (2024)  Amorphous Metallic Cobalt-Based Organophosphonic Acid Compounds as Novel Photocatalysts to Boost Photocatalytic CO2 Reduction.  C-Journal of Carbon Research,  10  (1): (12).  [PMID:] [10.3390/c10010012]

7. Yingqi Chen, Zuocheng Qiu, Xueling Hu, Tiehua Wang, Guoqing Li, Ziling Tang, Chongzhou Fang, Weibei Sheng, Jin Zhao, Fei Yu, Jian Weng, Anjaneyulu Udduttula, Geetha Manivasagam, Hui Zeng.  (2024)  Biofunctional Supramolecular Injectable Hydrogel with Spongy-Like Metal-Organic Coordination for Effective Repair of Critical-Sized Calvarial Defects.  Asian Journal of Pharmaceutical Sciences,      [PMID:39926635] [10.1016/j.ajps.2024.100988]

8. Fan Wu, Chengwei Zhou, Yonggong Tang, Jiangang Han, Weinan Xing, Guangyu Wu, Yudong Huang.  (2025)  Engineering nickel doped cobalt phosphide as a photocatalyst toward visible-light-driven CO2 reduction.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2025.114940]

9. Chunpei Yan, Qihang Peng, Linshan Peng, Zhirong Liu, Yong Qian, Tianxiang Jin.  (2024)  Highly efficient adsorption of thorium(IV) from aqueous solutions by functionalized UiO-66 with abundant phosphonic acid active sites.  NEW JOURNAL OF CHEMISTRY,  48  (22): (10093-10103).  [PMID:] [10.1039/D4NJ01671H]

10. Shichang Zhang, Qunying Huang, Lifeng Chen, Yilai Zhong, Fengtao Hu, Kun Wu, Xiangbiao Yin, Mohammed F. Hamza, Yuezhou Wei, Shunyan Ning.  (2024)  Phosphination of amino-modified mesoporous silica for the selective separation of strontium.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38341887] [10.1016/j.jhazmat.2024.133741]

11. Jin-Qi Xie, Daozhuo Ji, Ziyang Chang, Yuhong Wu, Qiqi Lv, Xiaokang Liu, Lang Shi.  (2024)  Synergy of P doping and crystallinity modulation in carbon nitride for enhancing photocatalytic uranyl reduction.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39180849] [10.1016/j.jcis.2024.08.128]

12. Xinchen Du, Ruxiang Li, Yadong Liu, Binghao Hou, Taosheng Sun, Lianyong Wang.  (2025)  An anti-infective and pro-coagulant chitosan-based composite sponge with shape memory for effective hemostasis in multi-tissue defects.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2025.113635]

13. Yibo Zhang, Wei Wang, Chunlai Liu, Peihang Shen, Zelong Liu, Jianglei Hu, Fengwei Shi.  (2023)  Facile synthesis of HPW@MOF-199 embedded in SBA-15 functionalized with -COOH groups as a steady catalyst for the esterification reaction.  FUEL,      [PMID:] [10.1016/j.fuel.2023.127563]