(3aS,4R,5R,7aS)-7-Bromo-2,2-Dimethyl-3A,4,5,7A-Tetrahydro-1,3-Benzodioxole-4,5-Diol
[CAS# 130669-72-6]

Identification

• Name: (3aS,4R,5R,7aS)-7-Bromo-2,2-Dimethyl-3A,4,5,7A-Tetrahydro-1,3-Benzodioxole-4,5-Diol
• Synonyms: [3aS-(3aα,4α,5α,7aα)]-7-Bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol; [3aS-(3aα,4α,5α,7aα)]-7-Bromo-3a,4,5,7a-tetrahydro-2,2-dimethyl-1,3-benzodioxole-4,5-diol; 490350_ALDRICH
• Molecular Formula: C₉H₁₃BrO₄
• Molecular Weight: 265.10
• CAS Registry Number: 130669-72-6
• SMILES: Br\C1=C\[C@@H](O)[C@@H](O)[C@@H]2OC(O[C@H]12)(C)C
• InChI: 1S/C9H13BrO4/c1-9(2)13-7-4(10)3-5(11)6(12)8(7)14-9/h3,5-8,11-12H,1-2H3/t5-,6-,7-,8+/m1/s1
• InChIKey: UGCLVZMHFRQWFL-XUTVFYLZSA-N

Properties

• Density: 1.649g/cm³ (Cal.)
• Boiling point: 375.69°C at 760 mmHg (Cal.)
• Flash point: 181.011°C (Cal.)
• Refractive index: 1.579 (Cal.)