CAS RN: 111928-21-3
Tetrabutylphosphonium Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250206 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260520 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250528 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250206 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-012400
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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 10g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
111928-21-3 / tetrabutylphosphanium hexafluorophosphate
Tetrabutylphosphonium hexafluorophosphate | RefChem:896789 | 621-312-9
Basic Information
CAS
111928-21-3
Multi CAS
No
Molecular Formula
C16H36F6P2
Molecular Weight
404.390000
Exact Mass
404.219644
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C16H36P.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
InChIKey
QLQAFNAPINCKBM-UHFFFAOYSA-N
Synonyms
Tetrabutylphosphonium hexafluorophosphate
RefChem:896789
621-312-9
Tetrabutylphosphonium hexafluorophosphate(V)
MFCD01863114
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
7
Molar refractivity
99.59
TPSA
0.0000
LogP / Solubility
WLOGP
9.59
MLOGP
8.46
XLogP3
9.59
Consensus LogP
9.21
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-9.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
