Phenyl Phosphate - ≥98% , CAS No.701-64-4

CAS: 701-64-4 Cat. No.: P160442 Peso molecular: 174.09 Beilstein Registry Number: 6(4)708 Número EC: 211-857-7 PubChem CID: 12793

GRADE & PURITY ≥98%

Synonyms

Q27094221 | phenylphosphoric acid, AldrichCPR | Phosphoric acid, monophenyl ester | Phenylphosphate | FT-0695226 | Phenolic phosphate | Phenylphosphoric acid | 75M88J863E | MONOPHENYL PHOSPHATE | PHENYLPHOSPHORICACID | 1o4o | B0026 | Phosphoric acid monop

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Q27094221 | phenylphosphoric acid, AldrichCPR | Phosphoric acid, monophenyl ester | Phenylphosphate | FT-0695226 | Phenolic phosphate | Phenylphosphoric acid | 75M88J863E | MONOPHENYL PHOSPHATE | PHENYLPHOSPHORICACID | 1o4o | B0026 | Phosphoric acid monop

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752393
• Sonrisas canónicas: C1=CC=C(C=C1)OP(=O)(O)O
• IUPAC Name: phenyl dihydrogen phosphate
• InChIKey: CMPQUABWPXYYSH-UHFFFAOYSA-N
• INCHI: 1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
• Isómeros SMILES: C1=CC=C(C=C1)OP(=O)(O)O
• RTECS: SZ9652500
• PubChem CID: 12793
• Peso molecular: 174.09
• Beilstein: 6(4)708
• Reaxy-Rn: 1910238

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl phosphate - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• External Descriptors: aryl phosphate

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

Objetivos asociados (humanos)

LCK Tclin Tyrosine-protein kinase LCK (9212 Activities)

Discover Target: LCK

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

PON1 Tbio Serum paraoxonase/arylesterase 1 (96 Activities)

Discover Target: PON1

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

Objetivos asociados (no humanos)

Grb2 Growth factor receptor-bound protein 2 (49 Activities)

Discover Target: Grb2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 100 °C
• Peso molecular: 174.090 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.008 Da
• Monoisotopic Mass: 174.008 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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

Referencias

1. Wentao He, Huahui Xu, Pingan Song, Yushu Xiang, Shuhao Qin.  (2022)  P, N-decorated halloysite nanotubes for flame retardancy enhancement of polyamide 6/aluminum diethylphosphinate.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2022.109847]

2. Ying-Ming Li, Hang-Ping Fang, Shuang-Lin Hu, Yao Deng, De-Yi Wang.  (2026)  Biomimetic soil-root-mineral system toward VER composites with enhanced mechanical property, good recyclability and excellent flame retardancy.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2026.111943]