Methyl (2S,4R)-6-chloro-4-methyl-4-(2-thienyl)-4H-1,3-benzodioxine-2-carboxylate
[CAS# 86617-08-5]

Identification

• Name: Methyl (2S,4R)-6-chloro-4-methyl-4-(2-thienyl)-4H-1,3-benzodioxine-2-carboxylate
• Synonyms: 4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, methyl ester, trans-; trans-6-Chloro-4-methyl-4-(2-thienyl)-1,3-benzodioxan-2-carboxylic acid methyl ester
• Molecular Formula: C₁₅H₁₃ClO₄S
• Molecular Weight: 324.78
• CAS Registry Number: 86617-08-5
• SMILES: Clc2ccc3O[C@@H](O[C@@](c1sccc1)(c3c2)C)C(=O)OC
• InChI: 1S/C15H13ClO4S/c1-15(12-4-3-7-21-12)10-8-9(16)5-6-11(10)19-14(20-15)13(17)18-2/h3-8,14H,1-2H3/t14-,15+/m0/s1
• InChIKey: CRKPBIGCTXSLCR-LSDHHAIUSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 454.975°C at 760 mmHg (Cal.)
• Flash point: 228.961°C (Cal.)