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Basic Information
CAS No.: 429-07-2
Name: Tetraethylammonium hexafluorophosphate
Molecular Structure:
Molecular Structure of 429-07-2 (Tetraethylammonium hexafluorophosphate)
Formula: C8H20F6NP
Molecular Weight: 275.218
Synonyms: N,N,N-triethylethanaminium hexafluorophosphate;Ethanaminium, N,N,N-triethyl-, hexafluorophosphate (1-);Ethanaminium, N,N,N-triethyl-, hexafluorophosphate(1-) (9CI);Ammonium, tetraethyl-, hexafluorophosphate (1-);N,N,N-triethylethanaminium hexafluorophosphate;Ethanaminium, N,N,N-triethyl-, hexafluorophosphate(1-) (9CI);
EINECS: 207-056-7
Melting Point: ≥300 °C(lit.)
Solubility: acetonitrile: 0.1 g/mL, clear, colorless
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 13.59000
LogP: 5.26520
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    Tetraethylammonium hexafluorophosphate

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    Package:25 g in poly bottle Application:Employed extensively in electrolytes for electrochemical synthesis. Recent examples include one-pot electrochemical generation of a porphyrin dimer and reduction of esters in aprotic solvents.

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Specification

The Tetraethylammonium hexafluorophosphate, with the CAS registry number 429-07-2 and EINECS registry number 207-056-7, has the systematic name of N,N,N-triethylethanaminium hexafluorophosphate. And the molecular formula of this chemical is C8H20F6NP. It belongs to the following product categories: Ammonium SaltsAnalytical Reagents; Electrochemistry; Supporting Electrolytes for Electrochemistry; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. What's more, it is used as supporting electrolyte, and it is also used in the produce of antiseptic.

The physical properties of Tetraethylammonium hexafluorophosphate are as following: (1)ACD/LogP: -3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.17; (4)ACD/LogD (pH 7.4): -3.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å2.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: F[P-](F)(F)(F)(F)F.CC[N+](CC)(CC)CC
(2)InChI: InChI=1/C8H20N.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
(3)InChIKey: KLKUOIXSIDDDCN-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04258,