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	Organic phosphines and derivatives Organic transition metal salts Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Triphenylphosphine - Phenylphosphine - Phosphine - Organic metal salt - Organic transition metal salt - Organopnictogen compound - Hydrocarbon derivative - Organic salt - 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)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	300°C
Molecular Weight	654.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	652.055 Da
Monoisotopic Mass	652.055 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	204.000
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	3

Citations of This Product

References

1. Jia You, Qianqian Kong, Cuiling Zhang, Yuezhong Xian. (2022) Designed synthesis of an sp2 carbon-conjugated fluorescent covalent organic framework for selective detection of Fe3+. Analytical Methods, 14 (24): (2389-2395). [PMID:35666475] [10.1039/D2AY00626J]
2. Yun Li, Yueqin Li, Nana Wang, Dong Lin, Xiaohui Liu, Yong Yang, Qinwei Gao. (2019) Synthesis, DNA/BSA binding studies and in vitro biological assay of nickel(II) complexes incorporating tridentate aroylhydrazone and triphenylphosphine ligands. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, [PMID:31739745] [10.1080/07391102.2019.1694995]

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Reviews

Canonical Smiles	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]Cl
IUPAC Name	dichloronickel;triphenylphosphane
InChIKey	ZBRJXVVKPBZPAN-UHFFFAOYSA-L
INCHI	1S/2C18H15P.2ClH.Ni/c21-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h21-15H;2*1H;/q;;;;+2/p-2
Isomeric SMILES	C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[Ni]Cl
WGK Germany	3
RTECS	QR6170000
PubChem CID	498315
Molecular Weight	654.17
Reaxy-Rn	14619310

Bis(triphenylphosphine)nickel(II) dichloride - PrimorTrace™, ≥99.99% metals basis , CAS No.14264-16-5

Overview