Taxonomic Classification

Taxonomy Tree

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	Toluenes Organic phosphines and derivatives Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Triphenylphosphine - Toluene - Phenylphosphine - Phosphine - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus 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
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
L1812051	Certificate of Analysis	Feb 05, 2026	D139049
L1812050	Certificate of Analysis	May 14, 2024	D139049

Chemical and Physical Properties

Sensitivity	Air sensitive
Molecular Weight	276.300 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	276.107 Da
Monoisotopic Mass	276.107 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	257.000
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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Reviews

Canonical Smiles	CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3
IUPAC Name	(2-methylphenyl)-diphenylphosphane
InChIKey	MLBZLJCMHFCTQM-UHFFFAOYSA-N
INCHI	1S/C19H17P/c1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15H,1H3
Isomeric SMILES	CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3
WGK Germany	3
Molecular Weight	276.31
Reaxy-Rn	746464
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=746464&ln=

Diphenyl(o-tolyl)phosphine - ≥97%(HPLC) , CAS No.5931-53-3

Overview