# Bis(tri-o-tolylphosphine)palladium(II) Dichloride

**CAS:** 40691-33-6  
**PubChem CID:** [10876480](https://pubchem.ncbi.nlm.nih.gov/compound/10876480)  
**Molecular formula:** C₄₂H₄₂Cl₂P₂Pd  
**Molar mass:** 786.1 g/mol  
**IUPAC:** dichloropalladium;bis(tris(2-methylphenyl)phosphane)  
**SMILES:** `CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.Cl[Pd]Cl`  
**InChIKey:** `OTYPIDNRISCWQY-UHFFFAOYSA-L`  
**InChI:** `InChI=1S/2C21H21P.2ClH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 0 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 0 |
| Rotatable bonds | 6 |
| Heavy atoms | 47 |

## 3D structure

The molecule contains 89 atoms connected by 92 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/40691-33-6/

## Synonyms

- Bis(tri-o-tolylphosphine)palladium(II) Dichloride
- RefChem:1079989
- DTXCID70382966
- 40691-33-6
- Dichlorobis(tri-o-tolylphosphine)palladium(II)
- PdCl2[P(o-Tol)3]2
- TRANS-DICHLOROBIS(TRI-O-TOLYLPHOSPHINE)PALLADIUM(II)
- Dichlorobis(tris(o-tolyl)phosphine)palladium
- MFCD00274659
- SCHEMBL105624

## Data sources

- [PubChem CID 10876480](https://pubchem.ncbi.nlm.nih.gov/compound/10876480)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=40691-33-6)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=40691-33-6)

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- Canonical: https://molgod.org/molecule/40691-33-6/

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**How to cite:** MolGod.org. "Bis(tri-o-tolylphosphine)palladium(II) Dichloride (CAS 40691-33-6)." Last modified 2026-09-03. https://molgod.org/molecule/40691-33-6/ — for a chemical fact, cite its primary source (PubChem CID 10876480); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-03 · Generator: MOL-GOD v3.12.33*