Diphenyl phosphate - ≥99% , CAS No.838-85-7

CAS: 838-85-7 Cat. No.: D139308 分子式: (C₆H₅O)₂P(O)OH 分子量: 250.19 Beilstein Registry Number: 1379164 EC番号: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

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

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

504752441

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

3

RTECS

TC5470000

分子量

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
    • 分類 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphodiesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in benzene. Insoluble in water.
• 感度: Moisture sensitive
• 融点（°C）: 69 °C
• 分子量: 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