4-Ethoxybenzyltriphenylphosphonium Bromide - ≥98% , CAS No.82105-88-2

CAS: 82105-88-2 Cat. No.: E156115 Formula: C₂₇H₂₆BrOP Peso molecolare: 477.38 Numero EC: 617-299-4

GRADE & PURITY ≥98%

Synonyms

(4-ethoxybenzyl)(triphenyl)phosphonium bromide | p-ethoxybenzyltriphenylphosphonium bromide | (4-Ethoxybenzyl)triphenylphosphonium bromide | [(4-ethoxyphenyl)methyl]triphenylphosphanium bromide | FT-0604764 | (4-Ethoxybenzyl)triphenylphosphoniumbromide |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

(4-ethoxybenzyl)(triphenyl)phosphonium bromide | p-ethoxybenzyltriphenylphosphonium bromide | (4-Ethoxybenzyl)triphenylphosphonium bromide | [(4-ethoxyphenyl)methyl]triphenylphosphanium bromide | FT-0604764 | (4-Ethoxybenzyl)triphenylphosphoniumbromide |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528759970
• Sorrisi canonici: CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• IUPAC Name: (4-ethoxyphenyl)methyl-triphenylphosphanium;bromide
• InChIKey: MZBKKJRCQNVENM-UHFFFAOYSA-M
• INCHI: 1S/C27H26OP.BrH/c1-2-28-24-20-18-23(19-21-24)22-29(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-21H,2,22H2,1H3;1H/q+1;/p-1
• Isomeri SMILES: CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
• Peso molecolare: 477.38
• Reaxy-Rn: 6464029
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6464029&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylphosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Organopnictogen compounds Organophosphorus compounds Organic zwitterions Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenoxy compound - Phenol ether - Phenylphosphine - Alkyl aryl ether - Ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic zwitterion - Organophosphorus compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Punto di fusione (°C): 225 °C
• Peso molecolare: 477.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 476.09 Da
• Monoisotopic Mass: 476.09 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 406.000
• 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: 2

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