3-Bromothiophene
[CAS# 10023-11-7]

Identification

• Name: 3-Bromothiophene
• Synonyms: 2-[(1R,3S)-9-Hydroxy-5,10-Diketo-1-Propyl-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Acetic Acid; 2-[(1R,3S)-9-Hydroxy-5,10-Dioxo-1-Propyl-3,4-Dihydro-1H-Benzo[G]Isochromen-3-Yl]Ethanoic Acid; 1H-Naphtho(2,3-C)Pyran-3-Acetic Acid, 3,4,5,10-Tetrahydro-9-Hydroxy-5,10-Dioxo-1-Propyl-, (1R-Trans)-
• Molecular Formula: C₁₈H₁₈O₆
• Molecular Weight: 330.34
• CAS Registry Number: 10023-11-7
• SMILES: [C@@H]1(O[C@@H](CC2=C1C(=O)C3=C(C2=O)C=CC=C3O)CC(=O)O)CCC
• InChI: 1S/C18H18O6/c1-2-4-13-16-11(7-9(24-13)8-14(20)21)17(22)10-5-3-6-12(19)15(10)18(16)23/h3,5-6,9,13,19H,2,4,7-8H2,1H3,(H,20,21)/t9-,13+/m0/s1
• InChIKey: XWXZEYLPRXYHQC-TVQRCGJNSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 604.931°C at 760 mmHg (Cal.)
• Flash point: 223.471°C (Cal.)