Fosfato de difenilo - ≥99% , CAS No.838-85-7

CAS: 838-85-7 Cat. No.: D139308 Fórmula: (C₆H₅O)₂P(O)OH Peso molecular: 250.19 Beilstein Registry Number: 1379164 Número CE: 212-657-2

GRADE & PURITY ≥99%

Synonyms

EINECS 212-657-2 | BRN 1379164 | HY-W008151 | NSC289392 | NSC-289392 | Q63391915 | CHEBI:166468 | Phenyl phosphate ((PhO)2(HO)PO) | NCGC00257429-01 | MFCD00003033 | NSC 6518 | DTXCID3028182 | Phosphoric acid, diphenyl ester | AS-17707 | Diphenyl hydrogen

Storage

Carregado com árgon

Shipped In

Normal

Specifications

Sinónimos

EINECS 212-657-2 | BRN 1379164 | HY-W008151 | NSC289392 | NSC-289392 | Q63391915 | CHEBI:166468 | Phenyl phosphate ((PhO)2(HO)PO) | NCGC00257429-01 | MFCD00003033 | NSC 6518 | DTXCID3028182 | Phosphoric acid, diphenyl ester | AS-17707 | Diphenyl hydrogen

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Carregado com árgon

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

504752441

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752441

Sorrisos canónicos

C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

IUPAC Name

diphenyl hydrogen phosphate

InChIKey

ASMQGLCHMVWBQR-UHFFFAOYSA-N

INCHI

1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)

SMILES isoméricas

C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

WGK Alemanha

3

RTECS

TC5470000

Peso molecular

250.19

Beilstein

1379164

Reaxy-Rn

1379164

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1379164&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphodiesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphodiesters
• Alternative Parents: Phenoxy compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl phosphodiester - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl phosphodiesters. These are aryl phosphates in which the phosphate is esterified at exactly two positions.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in benzene. Insoluble in water.
• Sensibilidade: Moisture sensitive
• Ponto de fusão (°C): 69 °C
• Peso molecular: 250.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 250.039 Da
• Monoisotopic Mass: 250.039 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 246.000
• 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