CAS No.2472-88-0,Bis(tetrabutylammonium) sulphate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	2472-88-0
Name:	Bis(tetrabutylammonium) sulphate
Article Data:	5

Formula:	C₃₂H₇₂N₂O₄S
Molecular Weight:	581.001
Synonyms:	Bis(tetrabutylammonium) sulphate (tbas);Tetrabutylammonium sulfate solution;ammonium, tetrabutyl-, sulfate (1:1);1-Butanaminium, N,N,N-tributyl-, sulfate (1:1);
EINECS:	219-593-4
Density:	1.01 g/mL at 25 °C
Boiling Point:	84 °C
Appearance:	White powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	88.64000
LogP:	9.75000

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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