2alpha-Bromo-3-[(4-Nitrophenoxy)Imino]-5alpha-Androstan-17-One
[CAS# 51354-35-9]

Identification

• Name: 2alpha-Bromo-3-[(4-Nitrophenoxy)Imino]-5alpha-Androstan-17-One
• Synonyms: 2-Alpha-Bromo-5-Alpha-Androstane-3,17-Dione 3-(O-(P-Nitrophenyl)Oxime); 5-Alpha-Androstane-3,17-Dione, 2-Alpha-Bromo-, 3-(O-(P-Nitrophenyl)Oxime); Brn 2229338
• Molecular Formula: C₂₅H₃₁BrN₂O₄
• Molecular Weight: 503.43
• CAS Registry Number: 51354-35-9
• SMILES: [C@H]14[C@@H]([C@@]3([C@@H](CC1)CC(=N/OC2=CC=C([N+]([O-])=O)C=C2)\[C@H](Br)C3)C)CC[C@]5([C@H]4CCC5=O)C
• InChI: 1S/C25H31BrN2O4/c1-24-12-11-20-18(19(24)9-10-23(24)29)8-3-15-13-22(21(26)14-25(15,20)2)27-32-17-6-4-16(5-7-17)28(30)31/h4-7,15,18-21H,3,8-14H2,1-2H3/b27-22+/t15-,18-,19-,20-,21+,24-,25-/m0/s1
• InChIKey: VAVMQQNNCHMREK-NCIANOTLSA-N

Properties

• Density: 1.537g/cm³ (Cal.)
• Boiling point: 590.123°C at 760 mmHg (Cal.)
• Flash point: 310.695°C (Cal.)