Name: 2,4,6-Trimethylpyridinium p-Toluenesulfonate
SKU: 59229-09-3

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Basic Information

Molecular Structure:
CAS No.:	59229-09-3
Name:	2,4,6-Trimethylpyridinium p-Toluenesulfonate

Formula:	C₁₅H₁₉NO₃S
Molecular Weight:	293.387
Synonyms:	2,4,6-collidinium p-toluenesulfonate;
Melting Point:	128-130 °C(lit.)
Boiling Point:	465.6 °C at 760 mmHg
Flash Point:	235.4 °C
Solubility:	almost transparency in Water
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	75.64000
LogP:	4.32930

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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