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2,4,6-Trimethylpyridinium 4-methylbenzenesulfonate

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Name

2,4,6-Trimethylpyridinium 4-methylbenzenesulfonate

EINECS N/A
CAS No. 59229-09-3 Density N/A
PSA 75.64000 LogP 4.32930
Solubility almost transparency in Water Melting Point 128-130 °C(lit.)
Formula C15H19NO3S Boiling Point 465.6 °C at 760 mmHg
Molecular Weight 293.387 Flash Point 235.4 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 59229-09-3 (2,4,6-Trimethylpyridinium p-Toluenesulfonate) Hazard Symbols IrritantXi
Synonyms

2,4,6-collidinium p-toluenesulfonate;

 

2,4,6-Trimethylpyridinium 4-methylbenzenesulfonate Specification

The 2,4,6-Trimethylpyridinium p-Toluenesulfonate, with the CAS registry number 59229-09-3, is also known as CID10902457. It belongs to the product categories of Heterocyclic Compounds; Condensation & Active Esterification; Pyridinium Compounds; Synthetic Organic Chemistry. This chemical's molecular formula is C15H19NO3S and molecular weight is 293.38126. Its IUPAC name is called 4-methylbenzenesulfonic acid; 2,4,6-trimethylpyridine. It is stable at normal temperature and pressure. The product should be sealed and stored in cool and dry place. What's more, it should be protected from water.

Physical properties of 2,4,6-Trimethylpyridinium p-Toluenesulfonate: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): -2.57; (3)ACD/LogD (pH 7.4): -2.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Flash Point: 235.4 °C; (12)Enthalpy of Vaporization: 76.62 kJ/mol; (13)Boiling Point: 465.6 °C at 760 mmHg; (14)Vapour Pressure: 1.81E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC(=NC(=C1)C)C
(2)InChI: InChI=1S/C8H11N.C7H8O3S/c1-6-4-7(2)9-8(3)5-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H,1-3H3;2-5H,1H3,(H,8,9,10)
(3)InChIKey: VEXWNPGPVMYVDU-UHFFFAOYSA-N

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