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CAS 14221-00-2 TETRAKIS(TRIPHENYL PHOSPHITE)NICKEL(0) molecular structure lightbox
CAS RN: 14221-00-2

TETRAKIS(TRIPHENYL PHOSPHITE)NICKEL(0)

  • Product code: SSC-052976
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 14221-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

14221-00-2 / nickel;tetrakis(triphenyl phosphite)

Standard CAS: 14221-00-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14221-00-2
Multi CAS
No
Molecular Formula
C72H60NiO12P4
Molecular Weight
1299.800000
Exact Mass
1298.238867
SMILES
C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3.[Ni]
InChI
InChI=1S/4C18H15O3P.Ni/c4*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;/h4*1-15H;
InChIKey
PGXCIAAANFTEKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
89
Aromatic heavy atom count
72
Rotatable bonds
24
H-bond acceptors
12
Molar refractivity
352.52
TPSA
110.76

LogP / Solubility

WLOGP
21.8
MLOGP
19.31
XLogP3
21.8
Consensus LogP
20.97
Log S (ESOL)
-20.65
Class (ESOL)
Insoluble
Log S (Ali)
-25.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-29.08
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.83

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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