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CAS 111928-07-5 Tetraethylphosphonium Hexafluorophosphate molecular structure lightbox
CAS RN: 111928-07-5

Tetraethylphosphonium Hexafluorophosphate

  • Product code: SSC-012399
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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: 5g
  • 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 111928-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

111928-07-5 / tetraethylphosphanium hexafluorophosphate

Tetraethylphosphonium hexafluorophosphate | DTXSID60375226 | RefChem:384094

Standard CAS: 111928-07-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111928-07-5
Multi CAS
No
Molecular Formula
C8H20F6P2
Molecular Weight
292.180000
Exact Mass
292.094444
SMILES
CC[P+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
InChI
InChI=1S/C8H20P.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
InChIKey
WJZBUQKNTCKXAE-UHFFFAOYSA-N
Synonyms
Tetraethylphosphonium hexafluorophosphate DTXSID60375226 RefChem:384094 DTXCID80326255 623-279-6

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
62.65
TPSA
0.0000

LogP / Solubility

WLOGP
6.47
MLOGP
5.7
XLogP3
6.47
Consensus LogP
6.21
Log S (ESOL)
-5.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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

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