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

CAS: 82105-88-2 Cat. No.: E156115 Formule: C₂₇H₂₆BrOP Poids moléculaire: 477.38 Numéro CE: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528759970

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759970

Sourires canoniques

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

Isomères SMILES

CCOC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic
• Point de fusion (°C): 225 °C
• Poids moléculaire: 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

XLogP3