3-(7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-(1,4)thiazepin-5-yl)-4-hydroxy-6-methylpyran-2-one
[CAS# 257292-29-8]

Identification

• Name: 3-(7-(2,4-Dimethoxyphenyl)-2,3,6,7-tetrahydro-(1,4)thiazepin-5-yl)-4-hydroxy-6-methylpyran-2-one
• Molecular Formula: C₁₉H₂₁NO₅S
• Molecular Weight: 375.44
• CAS Registry Number: 257292-29-8
• SMILES: CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O

Properties

• Solubility: 2.752 mg/L (25 °C water)
• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.613, Calc.^*
• Melting point: 235.35 °C
• Boiling Point: 525.3±50.0 °C (760 mmHg), Calc.^*, 548.71 °C
• Flash Point: 271.5±30.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS02;GHS07 Danger
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P280-P301+P312-P302+P352-P304+P340-P305+P351+P338