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

CAS: 838-85-7 Cat. No.: D139308 분자식: (C₆H₅O)₂P(O)OH 분자량: 250.19 Beilstein Registry Number: 1379164 EC 번호: 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

동의어

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

사양 및 순도

≥99%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥99%

이름과 식별자

• Pubchem Sid: 504752441
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752441
• 정식 스마일: 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)
• 이성체 SMILES: C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2
• WGK 독일: 3
• RTECS: TC5470000
• 분자량: 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
    • 분류 Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphodiesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in benzene. Insoluble in water.
• 감도: Moisture sensitive
• 녹는점(°C): 69 °C
• 분자량: 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