3-[2-[2-(4-Chlorophenoxy)-2-Methylpropionyloxy]Ethoxycarbonyl]Pyridinium Hydrogen Sulphate
[CAS# 94135-26-9]

Identification

• Name: 3-[2-[2-(4-Chlorophenoxy)-2-Methylpropionyloxy]Ethoxycarbonyl]Pyridinium Hydrogen Sulphate
• Synonyms: 2-[2-(4-Chlorophenoxy)-2-Methyl-Propanoyl]Oxyethyl Pyridin-1-Ium-3-Carboxylate; Hydrogen Sulfate; Hydrogen Sulfate; 3-Pyridin-1-Iumcarboxylic Acid 2-[2-(4-Chlorophenoxy)-2-Methyl-1-Oxopropoxy]Ethyl Ester; Pyridin-1-Ium-3-Carboxylic Acid 2-[2-(4-Chlorophenox
• Molecular Formula: C₁₈H₂₀ClNO₉S
• Molecular Weight: 461.87
• CAS Registry Number: 94135-26-9
• EINECS: 302-895-6
• SMILES: C2=C(OC(C)(C)C(OCCOC(=O)C1=C[NH+]=CC=C1)=O)C=CC(=C2)Cl.O=[S](O)([O-])=O
• InChI: 1S/C18H18ClNO5.H2O4S/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;1-5(2,3)4/h3-9,12H,10-11H2,1-2H3;(H2,1,2,3,4)
• InChIKey: IOOLKHGOVZRWRU-UHFFFAOYSA-N

Properties

• Boiling point: 637.2°C at 760 mmHg (Cal.)
• Flash point: 339.1°C (Cal.)