(4-Aminophenyl)phosphonic Acid - ≥98% , CAS No.5337-17-7

CAS: 5337-17-7 Cat. No.: A303915 Molecular Weight: 173.11 EC Number: 226-260-7

GRADE & PURITY ≥98%

Synonyms

4-Phosphonoaniline | 4-aminophenylphosphonic acid | BRN 0388231 | Q48937962 | DTXSID20201532 | EINECS 226-260-7 | D88549 | Phosphonic acid, (4-aminophenyl)- | NSC55744 | NSC-55744 | PHOSPHONIC ACID, P-(4-AMINOPHENYL)- | 4-aminobenzenephosphonic acid | C6H

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

4-Phosphonoaniline | 4-aminophenylphosphonic acid | BRN 0388231 | Q48937962 | DTXSID20201532 | EINECS 226-260-7 | D88549 | Phosphonic acid, (4-aminophenyl)- | NSC55744 | NSC-55744 | PHOSPHONIC ACID, P-(4-AMINOPHENYL)- | 4-aminobenzenephosphonic acid | C6H

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508806555
• Canonical Smiles: C1=CC(=CC=C1N)P(=O)(O)O
• IUPAC Name: (4-aminophenyl)phosphonic acid
• InChIKey: OAOBMEMWHJWPNA-UHFFFAOYSA-N
• INCHI: 1S/C6H8NO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
• Isomeric SMILES: C1=CC(=CC=C1N)P(=O)(O)O
• Molecular Weight: 173.11
• Reaxy-Rn: 388231
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=388231&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Organic phosphonic acids Primary amines Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organophosphonic acid derivative - Organophosphonic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Sensitivity: Light sensitive；Moisture sensitive
• Melt Point(°C): 245 °C
• Molecular Weight: 173.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.024 Da
• Monoisotopic Mass: 173.024 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 171.000
• 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. Jiawei Zhan, Qinyi Zhang, Huazhong Wang, Shuyu Zhang, Minglin Zhang, Ying Zhang, Tingna Fan, Pengyun Zhang, Huizhen Ke.  (2025)  Aggregation-Suppressed and Synergistically Anchored Co-SAMs for High-Efficiency Stable Perovskite Solar Cells.  ChemSusChem,      [PMID:41364881] [10.1002/cssc.202501970]