[email protected]
CAS 13007-90-4 BIS(TRIPHENYLPHOSPHINE)DICARBONYLNICKEL molecular structure lightbox
CAS RN: 13007-90-4

BIS(TRIPHENYLPHOSPHINE)DICARBONYLNICKEL

Product Availability

Choose a grade to view its available package options.

4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250418 10g Out of stock Inquiry
Batchno.20251117 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20251002 25g Out of stock Inquiry
Batchno.20250102 5g Out of stock Inquiry
  • Product code: SSC-036786
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13007-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry

13007-90-4 / carbon monoxide;nickel;bis(triphenylphosphanium)

Standard CAS: 13007-90-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13007-90-4
Multi CAS
No
Molecular Formula
C38H32NiO2P2+2
Molecular Weight
641.300000
Exact Mass
640.123096
SMILES
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Ni]
InChI
InChI=1S/2C18H15P.2CO.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2;/h2*1-15H;;;/p+2
InChIKey
SLFKPACCQUVAPG-UHFFFAOYSA-P

Physical Properties

Physical Description
Solid; [Merck Index] Light yellow crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
36
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
180.94
TPSA
39.8

LogP / Solubility

WLOGP
6.28
MLOGP
5.58
XLogP3
6.28
Consensus LogP
6.05
Log S (ESOL)
-7.99
Class (ESOL)
Insoluble
Log S (Ali)
-9.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.76
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H350 (90.7%): May cause cancer [Danger Carcinogenicity]
Precautionary Statement Codes
P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us