5-Chloro-2-Phenyl-1,3-Dioxane
[CAS# 5695-79-4]

Identification

• Name: 5-Chloro-2-Phenyl-1,3-Dioxane
• Synonyms: Ethyl 4-Carbamoyl-5-[4-(4-Chloro-2-Methyl-Phenoxy)Butanoylamino]-3-Methyl-Thiophene-2-Carboxylate; 4-Carbamoyl-5-[[4-(4-Chloro-2-Methylphenoxy)-1-Oxobutyl]Amino]-3-Methyl-2-Thiophenecarboxylic Acid Ethyl Ester; 4-Carbamoyl-5-[4-(4-Chloro-2-Methyl-Phenoxy)Butanoylamino]-3-Methyl-Thiophene-2-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₀H₂₃ClN₂O₅S
• Molecular Weight: 438.93
• CAS Registry Number: 5695-79-4
• SMILES: C1=C(C(=CC=C1Cl)OCCCC(=O)NC2=C(C(=C(S2)C(OCC)=O)C)C(=O)N)C
• InChI: 1S/C20H23ClN2O5S/c1-4-27-20(26)17-12(3)16(18(22)25)19(29-17)23-15(24)6-5-9-28-14-8-7-13(21)10-11(14)2/h7-8,10H,4-6,9H2,1-3H3,(H2,22,25)(H,23,24)
• InChIKey: XZWCUHZTKSTLRL-UHFFFAOYSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 604.593°C at 760 mmHg (Cal.)
• Flash point: 319.447°C (Cal.)