Diphenylphosphine - ≥93% , CAS No.829-85-6

CAS: 829-85-6 Cat. No.: D578979 Formula: C₁₂H₁₁P Molecular Weight: 186.19 Beilstein Registry Number: 742504 EC Number: 212-591-4

GRADE & PURITY ≥93%

Synonyms

Diphenylphosphine|829-85-6|diphenylphosphane|Phosphine, diphenyl-|F9B5T7O7ZY|MFCD00003040|NSC-152123|PH2PH|UNII-F9B5T7O7ZY|diphenylphospine|diphenyl-phosphane|Diphenyl phosphine|diphenyl-Phosphine|C12H11P|(diphenyl)phosphine|EINECS 212-591-4|NSC152123|HPP

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Diphenylphosphine | 829-85-6 | diphenylphosphane | Phosphine, diphenyl- | F9B5T7O7ZY | MFCD00003040 | NSC-152123 | PH2PH | UNII-F9B5T7O7ZY | diphenylphospine | diphenyl-phosphane | Diphenyl phosphine | diphenyl-Phosphine | C12H11P | (diphenyl)phosphine | EINECS 212-591-4 | NSC152123 | HPP

Specifications & Purity

≥93%

Storage

Room temperature

Shipped In

Normal

Purity

≥93%

Names and Identifiers

Pubchem Sid

504754478

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754478

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: Sensitive to air&humidity&light
• x_refractive_index: 1.625
• x_flash_point_drop_fahrenheit: 230 °F
• x_flash_point_drop_centigrade: 110 °C
• x_boil_point_char: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥93% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 829-85-6, the molecular formula is C12H11P, and the molecular weight is 186.19 g/mol. InChIKey GPAYUJZHTULNBE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.