(7S,9S)-N,N-Dimethyl-9-[4-Nitro-3-(Trifluoromethyl)Phenoxy]-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-7-Amine
[CAS# 72575-56-5]

Identification

• Name: (7S,9S)-N,N-Dimethyl-9-[4-Nitro-3-(Trifluoromethyl)Phenoxy]-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-7-Amine
• Synonyms: Dimethyl-[(7S,9S)-9-[4-Nitro-3-(Trifluoromethyl)Phenoxy]-6,7,8,9-Tetrahydro-5H-Benzo[7]Annulen-7-Yl]Amine; 5H-Benzocyclohepten-7-Amine, 6,7,8,9-Tetrahydro-N,N-Dimethyl-5-(4-Nitro-3- (Trifluoromethyl)Phenoxy)-, Cis-
• Molecular Formula: C₂₀H₂₁F₃N₂O₃
• Molecular Weight: 394.39
• CAS Registry Number: 72575-56-5
• SMILES: [C@@H]3(OC1=CC=C([N+]([O-])=O)C(=C1)C(F)(F)F)C2=CC=CC=C2CC[C@H](N(C)C)C3
• InChI: 1S/C20H21F3N2O3/c1-24(2)14-8-7-13-5-3-4-6-16(13)19(11-14)28-15-9-10-18(25(26)27)17(12-15)20(21,22)23/h3-6,9-10,12,14,19H,7-8,11H2,1-2H3/t14-,19-/m0/s1
• InChIKey: RCWDYEBPBUXFGL-LIRRHRJNSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 495.285°C at 760 mmHg (Cal.)
• Flash point: 253.339°C (Cal.)