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Bis(tetrabutylammonium) sulphate

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Name

Bis(tetrabutylammonium) sulphate

EINECS 219-593-4
CAS No. 2472-88-0 Density 1.01 g/mL at 25 °C
PSA 88.64000 LogP 9.75000
Solubility N/A Melting Point N/A
Formula C32H72N2O4S Boiling Point 84 °C
Molecular Weight 581.001 Flash Point N/A
Transport Information N/A Appearance White powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2472-88-0 (Bis(tetrabutylammonium) sulphate) Hazard Symbols IrritantXi
Synonyms

Bis(tetrabutylammonium) sulphate (tbas);Tetrabutylammonium sulfate solution;ammonium, tetrabutyl-, sulfate (1:1);1-Butanaminium, N,N,N-tributyl-, sulfate (1:1);

Article Data 5

Bis(tetrabutylammonium) sulphate Specification

The Bis(tetrabutylammonium) sulphate, with the CAS registry number 2472-88-0 and EINECS registry number 219-593-4, has the systematic name of bis(N,N,N-tributylbutan-1-aminium) sulfate. The molecular formula of the chemical is C32H72N2O4S. And the chemical belongs to the following product categories: Ammonium Salts; Greener Alternatives; Catalysis; Phase Transfer Catalysts.

The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/LogD (pH 5.5):  ACD/LogD (pH 7.4):  ; (3)ACD/BCF (pH 5.5): 1ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12ACD/KOC (pH 7.4): 12; (5)#H bond acceptors: 6#H bond donors: 2; (6)#Freely Rotating Bonds: 24Polar Surface Area: 88.64 Å2.

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

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]S([O-])(=O)=O.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC
(2)InChI: InChI=1/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
(3)InChIKey: ZXUCBXRTRRIBSO-NUQVWONBAU

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