Dioctyl phenylphosphonate(DOPP) - ≥95% , CAS No.1754-47-8

CAS: 1754-47-8 Cat. No.: D344135 Summenformel: C₂₂H₃₉O₃P Molekulargewicht: 382.52 Beilstein Registry Number: 2948496 EG-Nummer: 217-142-6

GRADE & PURITY ≥95%

Synonyms

AS-65243 | NSC 3224 | WLN: 8VOPO&R&OV8 | Dioctyl phenylphosphonate | dioctoxyphosphorylbenzene | AKOS017343257 | DTXSID1061946 | AI3-18197 | BAA75447 | EINECS 217-142-6 | BRN 2948496 | BETA-METHYLLEVULINICACID | Di-n-octylphenylphosphonat | Phenylphosphon

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Übersicht

Plasticizer employed in ion-selective electrodes.

Specifications

Synonyme

AS-65243 | NSC 3224 | WLN: 8VOPO&R&OV8 | Dioctyl phenylphosphonate | dioctoxyphosphorylbenzene | AKOS017343257 | DTXSID1061946 | AI3-18197 | BAA75447 | EINECS 217-142-6 | BRN 2948496 | BETA-METHYLLEVULINICACID | Di-n-octylphenylphosphonat | Phenylphosphon

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

528775260

Kanonisches Lächeln

CCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCC

IUPAC Name

dioctoxyphosphorylbenzene

InChIKey

HAKMAMKAFTZXOZ-UHFFFAOYSA-N

INCHI

1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3

Isomere SMILES

CCCCCCCCOP(=O)(C1=CC=CC=C1)OCCCCCCCC

RTECS

TA0379000

Molekulargewicht

382.52

Beilstein

2948496

Reaxy-Rn

2948496

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2948496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Phosphonic acid diesters
• Alternative Parents: Phosphonic acid esters Benzene and substituted derivatives Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phosphonic acid diester - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phosphonic acid diesters. These are organophosphorus compounds containing a diester derivative of phosphonic acid, with the general structure ROP(=O)OR' (R,R' = organyl group).
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive;light sensitive;heat sensitive
• Siedepunkt (°C): 219-220° C at 0.7 mmHg
• Molekulargewicht: 382.500 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 382.264 Da
• Monoisotopic Mass: 382.264 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 331.000
• 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