(4-Hydroxybenzyl)phosphonic Acid - ≥98%(T) , CAS No.90001-07-3

CAS: 90001-07-3 Cat. No.: H157412 Peso molecular: 188.12 Número EC: 804-346-0

GRADE & PURITY ≥98%(T)

Synonyms

AKOS017344950 | SCHEMBL915744 | 4-Hydroxybenzylphosphonic acid, 97% | Phosphonic acid, [(4-hydroxyphenyl)methyl]- | DTXSID40476083 | (4-Hydroxyphenyl)methylphosphonic acid | ZHBRSHSRMYZHLS-UHFFFAOYSA-N | 4-hydroxybenzyl phosphonic acid | (4-Hydroxybenzyl)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AKOS017344950 | SCHEMBL915744 | 4-Hydroxybenzylphosphonic acid, 97% | Phosphonic acid, [(4-hydroxyphenyl)methyl]- | DTXSID40476083 | (4-Hydroxyphenyl)methylphosphonic acid | ZHBRSHSRMYZHLS-UHFFFAOYSA-N | 4-hydroxybenzyl phosphonic acid | (4-Hydroxybenzyl)

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504766890
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766890
• Sonrisas canónicas: C1=CC(=CC=C1CP(=O)(O)O)O
• IUPAC Name: (4-hydroxyphenyl)methylphosphonic acid
• InChIKey: ZHBRSHSRMYZHLS-UHFFFAOYSA-N
• INCHI: 1S/C7H9O4P/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4,8H,5H2,(H2,9,10,11)
• Isómeros SMILES: C1=CC(=CC=C1CP(=O)(O)O)O
• WGK Alemania: 3
• Peso molecular: 188.12
• Reaxy-Rn: 2834590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2834590&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Organic phosphonic acids Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 222 °C
• Peso molecular: 188.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 188.024 Da
• Monoisotopic Mass: 188.024 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 180.000
• 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