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

CAS: 5337-17-7 Cat. No.: A303915 Summenformel: C₆H₈NO₃P Molekulargewicht: 173.11 EG-Nummer: 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

Lagerung bei 2-8°C, vor Licht geschützt

Shipped In

Nasses Eis

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, vor Licht geschützt

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508806555

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508806555

Kanonisches Lächeln

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)

Isomere SMILES

C1=CC(=CC=C1N)P(=O)(O)O

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Moisture sensitive
• Schmelzpunkt (°C): 245 °C
• Molekulargewicht: 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