(2-hydroxybenzyl)diphenylphosphine oxide - ≥98% , CAS No.70127-50-3

CAS: 70127-50-3 Cat. No.: H304440 Molecular Weight: 308.31 EC Number: 845-556-2

GRADE & PURITY ≥98%

Synonyms

Phenol, 2-[(diphenylphosphinyl)methyl]- | AT10037 | SY263919 | H1763 | 2-(diphenylphosphorylmethyl)phenol | NS-00168 | MLS000595037 | EN300-7463137 | 2-(Diphenylphosphinylmethyl)phenol | HMS2545N07 | SCHEMBL10824828 | SMR000184423 | 2-[(diphenylphosphoryl

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Phenol, 2-[(diphenylphosphinyl)methyl]- | AT10037 | SY263919 | H1763 | 2-(diphenylphosphorylmethyl)phenol | NS-00168 | MLS000595037 | EN300-7463137 | 2-(Diphenylphosphinylmethyl)phenol | HMS2545N07 | SCHEMBL10824828 | SMR000184423 | 2-[(diphenylphosphoryl

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488191489
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191489
• Canonical Smiles: C1=CC=C(C=C1)P(=O)(CC2=CC=CC=C2O)C3=CC=CC=C3
• IUPAC Name: 2-(diphenylphosphorylmethyl)phenol
• InChIKey: NQWHOPCJTGVYOX-UHFFFAOYSA-N
• INCHI: 1S/C19H17O2P/c20-19-14-8-7-9-16(19)15-22(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,20H,15H2
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(CC2=CC=CC=C2O)C3=CC=CC=C3
• Molecular Weight: 308.31
• Reaxy-Rn: 2944569
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2944569&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenylphosphine - Phenol - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Boil Point(°C): 465.1±28.0℃at 760 mmHg
• Melt Point(°C): 178 °C
• Molecular Weight: 308.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 308.097 Da
• Monoisotopic Mass: 308.097 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 361.000
• 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