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 Organic transition metal salts Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Triphenylphosphine - Toluene - Phenylphosphine - Phosphine - Organic metal salt - Organic transition metal salt - 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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1 results found

Lot Number	Certificate Type	Date	Item
G1520054	Certificate of Analysis	Oct 12, 2024	C130080

Chemical and Physical Properties

Melt Point(°C)	205-210°C
Molecular Weight	536.800 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	536.074 Da
Monoisotopic Mass	536.074 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	264.000
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	2

Solution Calculators

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Reviews

Canonical Smiles	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.Cl[Au]
IUPAC Name	chlorogold;tris(4-methylphenyl)phosphane
InChIKey	QHHGSPBDJCGVPV-UHFFFAOYSA-M
INCHI	1S/C21H21P.Au.ClH/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;;/h4-15H,1-3H3;;1H/q;+1;/p-1
Isomeric SMILES	CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.Cl[Au]
WGK Germany	1
PubChem CID	15820613
Molecular Weight	536.78

Chloro[tri(p-tolyl)phosphine]gold(I) - ≥97% , CAS No.28978-10-1

Specifications