2-BUTENYLTRIPHENYLPHOSPHONIUM CHLORIDE - ≥96% , CAS No.13138-25-5

CAS: 13138-25-5 Cat. No.: B166927 Peso molecular: 352.847 Número EC: 651-721-8

GRADE & PURITY ≥96%

Synonyms

J-005986 | But-2-en-1-yltriphenylphosphonium chloride | [(E)-but-2-enyl]-triphenylphosphanium;chloride | (2-BUTENYL)TRIPHENYLPHOSPHONIUM CHLORIDE | Phosphonium, 2-buten-1-yltriphenyl-, chloride (1:1) | MFCD00051868 | AKOS017345063 | (2-BUTENYL)TRIPHENYLPH

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

J-005986 | But-2-en-1-yltriphenylphosphonium chloride | [(E)-but-2-enyl]-triphenylphosphanium;chloride | (2-BUTENYL)TRIPHENYLPHOSPHONIUM CHLORIDE | Phosphonium, 2-buten-1-yltriphenyl-, chloride (1:1) | MFCD00051868 | AKOS017345063 | (2-BUTENYL)TRIPHENYLPH

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504766771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766771
• Sonrisas canónicas: CC=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• IUPAC Name: [(E)-but-2-enyl]-triphenylphosphanium;chloride
• InChIKey: YYTDJYJBYMQMDI-SQQVDAMQSA-M
• INCHI: 1S/C22H22P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h2-18H,19H2,1H3;1H/q+1;/p-1/b3-2+
• Isómeros SMILES: C/C=C/C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
• Peso molecular: 352.847
• Reaxy-Rn: 4170527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4170527&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Organophosphorus compounds Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organophosphorus compound - Organic cation - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Peso molecular: 352.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 352.115 Da
• Monoisotopic Mass: 352.115 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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