4-[4-(8-Chloro-5,6-Dihydrobenzo[b][1]Benzothiepin-6-Yl)Piperazin-1-Yl]-1-(4-Fluorophenyl)Butan-1-One Dihydrochloride
[CAS# 77603-02-2]

Identification

• Name: 4-[4-(8-Chloro-5,6-Dihydrobenzo[b][1]Benzothiepin-6-Yl)Piperazin-1-Yl]-1-(4-Fluorophenyl)Butan-1-One Dihydrochloride
• Synonyms: 4-[4-(8-Chloro-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-1-Piperazinyl]-1-(4-Fluorophenyl)Butan-1-One Dihydrochloride; 1-Butanone, 4-(4-(8-Chloro-10,11-Dihydrodibenzo(B,F)Thiepin-10-Yl)-1-Piperazinyl)-1-(4-Fluorophenyl)-, Dihydrochloride, Hydrate; Vufb-12,335
• Molecular Formula: C₂₈H₃₀Cl₃FN₂OS
• Molecular Weight: 567.98
• CAS Registry Number: 77603-02-2
• SMILES: [H+].[H+].C5=C4C(N1CCN(CC1)CCCC(=O)C2=CC=C(F)C=C2)CC3=CC=CC=C3SC4=CC=C5Cl.[Cl-].[Cl-]
• InChI: 1S/C28H28ClFN2OS.2ClH/c29-22-9-12-28-24(19-22)25(18-21-4-1-2-6-27(21)34-28)32-16-14-31(15-17-32)13-3-5-26(33)20-7-10-23(30)11-8-20;;/h1-2,4,6-12,19,25H,3,5,13-18H2;2*1H
• InChIKey: UZJNPDWNCSXMEU-UHFFFAOYSA-N

Properties

• Boiling point: 611.2°C at 760 mmHg (Cal.)
• Flash point: 323.4°C (Cal.)