Diphenylphosphine - ≥95% , CAS No.829-85-6

CAS: 829-85-6 Cat. No.: D110231 Molecular Weight: 186.19 Beilstein Registry Number: 742504 EC Number: 212-591-4

GRADE & PURITY ≥95%

Synonyms

F9B5T7O7ZY | (diphenyl)phosphine | BCP22575 | MFCD00003040 | EINECS 212-591-4 | GC10090 | Q413810 | diphenylphosphane | diphenyl-phosphane | NSC152123 | NSC-152123 | D1020 | Diphenyl phosphine | DIPHENYLPHOSPHINE [MI] | Phosphine, diphenyl- | Diphenylphos

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

F9B5T7O7ZY | (diphenyl)phosphine | BCP22575 | MFCD00003040 | EINECS 212-591-4 | GC10090 | Q413810 | diphenylphosphane | diphenyl-phosphane | NSC152123 | NSC-152123 | D1020 | Diphenyl phosphine | DIPHENYLPHOSPHINE [MI] | Phosphine, diphenyl- | Diphenylphos

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)PC2=CC=CC=C2
• IUPAC Name: diphenylphosphane
• InChIKey: GPAYUJZHTULNBE-UHFFFAOYSA-N
• INCHI: 1S/C12H11P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
• Isomeric SMILES: C1=CC=C(C=C1)PC2=CC=CC=C2
• WGK Germany: 3
• UN Number: 2845
• Molecular Weight: 186.19
• Beilstein: 742504
• Reaxy-Rn: 742504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742504&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Solubility: Miscible with ethanol, ether, benzene, concentrated hydrochloric acid. Immiscible with water.
• Sensitivity: Air & Moisture & light sensitive.
• Refractive Index: 1.625
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 280°C
• Molecular Weight: 186.190 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 186.06 Da
• Monoisotopic Mass: 186.06 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 116.000
• 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

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