Tetrabutylammonium hydrogen sulfate

Iupac Name：hydrogen sulfate;tetrabutylazanium

Molecular Weight：242.46374

Introduction: Displays antibacterial properties due to the presence of the quaternary amine and the counter ion. View more+

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1. Names and Identifiers

1.1 Name: Tetrabutylammonium hydrogen sulfate
1.2 Synonyms: 1-Butanaminium, N,N,N-tributyl-, sulfate (1:1) ammonium hydrog Ammonium, tetrabutyl-, sulfate (1:1) en suL fate IPC-TBA-HS TBAHS-MB Tetrabutylammonium bisulfate Tetrabutylammonium Hydrogen Sulfate [Reagent for Ion-Pair Chromatography] TETRABUTYLAMMONIUM HYDROGEN SULPHATE Tetrabutylammonium hydrosulfate Tetra-n-butylammonium hydrogen sulfate TETRA-N-BUTYLAMMONIUM HYDROGEN SULPHATE TETRA-N-BUTYLAMMONIUM HYDROGENSULFATE

1.3 CAS No.: 32503-27-8

1.4 CID: 94433

1.5 EINECS(EC#): 251-068-5

1.6 Molecular Formula: C16H37NO4S (isomer)

1.7 Inchi: InChI=1S/C16H36N.H2O4S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

1.8 InChkey: SHFJWMWCIHQNCP-UHFFFAOYSA-M

1.9 Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]

1.10 Isomers Smiles: CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]

2. Properties

3.1 Density: 1.01

3.1 Melting point: 168-172℃

3.1 Boiling point: °Cat760mmHg

3.1 Flash Point: °C

3.1 Precise Quality: 339.24400

3.1 PSA: 85.81000

3.1 logP: 5.08900

3.1 Solubility: H2O: soluble10% (w/v), clear, colorless

3.2 Appearance: Clear liquid

3.3 Chemical Properties: white powder

3.4 Color/Form: White to beige

3.5 Odor: Amine like

3.6 PH: 1-2 (100g/l, H2O, 20℃)

3.7 Water Solubility: soluble

3.8 Stability: Stable, but moisture sensitive. Incompatible with strong oxidizing agents.

3.9 StorageTemp: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

3. Use and Manufacturing

4.1 Purification Methods: The sulfate crystallises from acetone. It has been used as a phase transfer catalyst. Tetrabutylammonium hydrogen sulfate Preparation Products And Raw materials Preparation Products

4.2 Storage: Hygroscopic. Ambient temperatures.

4.3 Usage: Displays antibacterial properties due to the presence of the quaternary amine and the counter ion.

4. Safety and Handling

5.1 Hazard Codes: Xn

5.1 Risk Statements: R22;R36/37/38

5.1 Safety Statements: S26;S37/39

5.1 RIDADR: 200kgs

5.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

IR : KBr disc

IR : nujol mull

Mass

Mass spectrum (electron ionization)

7. Other Information

7.0 Usage: Phase transfer catalyst Tetra-n-butylammonium hydrogen sulfate shows antibacterial properties due to the presence of the quaternary amine and the counter ion. It serves as a phase-transfer catalyst, surface-active agent, solvent, intermediate, active ingredient for conditioners, antistatic agent, detergent sanitizers, softener for textiles and paper products, emulsifying agents and pigment dispersers. It is used as an efficient catalyst in the N-alkylation reactions of benzanilides, cyclization of beta-amino acids to beta-lactams, conversion of nitriles to amides, dehydrohalogenation of aryl 2-haloethyl ethers to give vinyl ethers and in the oxidation of alcohols.

8. Computational chemical data

Molecular Weight：242.46374g/mol
Molecular Formula：C₁₆H₃₇NO₄S
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：339.24432984
Monoisotopic Mass：339.24432984
Complexity：192
Rotatable Bond Count：12
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：85.8
Heavy Atom Count：22
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2

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Good price Tetrabutylammonium hydrogen sulfate CAS 32503-27-8

Purity:99%Packing: 200kg/bag FOB
Price: 10 USD/kilogram
Time: 2022/05/05

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Tetrabutylammonium hydrogensulfate