4-Formyl-1-methylpyridinium benzenesulfonate supplier

Name
4-FORMYL-1-METHYL-PYRIDINIUM BENZENESULFONATE
EINECS
CAS No. 82228-89-5
Article Data2
CAS DataBase
Density
Solubility Sparingly soluble in water (0.27 g/L at 25°C).
Melting Point ~95 °C
Formula C₁₃H₁₃NO₄S
Boiling Point
Molecular Weight 279.317
Flash Point
Transport Information
Appearance pale yellow liquid
Safety 22-24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms benzenesulfonate,1-methylpyridin-1-ium-4-carbaldehyde
PSA 86.53000
LogP 1.99510

4-Formyl-1-methylpyridinium benzenesulfonate Specification

This chemical is called 4-Formyl-1-methylpyridinium benzenesulfonate, and it can also be named as pyridinium, 4-formyl-1-methyl- benzenesulfonate (1:1). With the molecular formula of C₁₃H₁₃NO₄S, its molecular weight is 279.31. The CAS registry number of this chemical is 82228-89-5, and it is pale yellow liquid. In addition, This chemical should be stored sealed in the cool and dry plcace.

Other characteristics of the 4-Formyl-1-methylpyridinium benzenesulfonate can be summarised as followings: (1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.75 Å².

Production method of this chemical: The 4-Formyl-1-methylpyridinium benzenesulfonate could be obtained by the reactants of pyridine-4-carbaldehyde and benzenesulfonic acid methyl ester. The yield is 83 %. In addition, this reaction should be taken for 4 hours, and the other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Avoid contacting with skin and eyes. Do not breathe dust.

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1cc[n+](cc1)C.[O-]S(=O)(=O)c1ccccc1
2.InChI: InChI=1/C7H8NO.C6H6O3S/c1-8-4-2-7(6-9)3-5-8;7-10(8,9)6-4-2-1-3-5-6/h2-6H,1H3;1-5H,(H,7,8,9)/q+1;/p-1
3.InChIKey: HSVLGIFAXFDLMU-REWHXWOFAX

Product Name

4-FORMYL-1-METHYL-PYRIDINIUM BENZENESULFONATE

4-Formyl-1-methylpyridinium benzenesulfonate Specification

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