Aflatoxin B1 Dichloride
[CAS# 58209-98-6]

Identification

• Name: Aflatoxin B1 Dichloride
• Synonyms: Aflatoxin B1 2,3-Dichloride; Aflatoxin B1 Dichloride; Aflatoxin B1-2,3-Dichloride
• Molecular Formula: C₁₇H₁₂Cl₂O₆
• Molecular Weight: 383.18
• CAS Registry Number: 58209-98-6
• SMILES: [C@@H]15[C@@H](OC2=C1C3=C(C(=C2)OC)C4=C(C(O3)=O)C(=O)CC4)O[C@@H](Cl)[C@@H]5Cl
• InChI: 1S/C17H12Cl2O6/c1-22-7-4-8-11(12-13(18)15(19)25-17(12)23-8)14-10(7)5-2-3-6(20)9(5)16(21)24-14/h4,12-13,15,17H,2-3H2,1H3/t12-,13-,15-,17+/m1/s1
• InChIKey: SHIWCSLVBGROOU-SMKXDYDZSA-N

Properties

• Density: 1.665g/cm³ (Cal.)
• Boiling point: 588.121°C at 760 mmHg (Cal.)
• Flash point: 240.299°C (Cal.)