1-(8-Chloro-10,11-Dihydrodibenzo[b,f]Thiepin-10-Yl)-4-Methylpiperazinium Methanesulphonate
[CAS# 42505-79-3]

Identification

• Name: 1-(8-Chloro-10,11-Dihydrodibenzo[b,f]Thiepin-10-Yl)-4-Methylpiperazinium Methanesulphonate
• Synonyms: 1-(8-Chloro-5,6-Dihydrobenzo[B][1]Benzothiepin-6-Yl)-4-Methyl-Piperazine; Methanesulfonic Acid; 1-(8-Chloro-10,11-Dihydrodibenzo(B,F)Thiepin-10-Yl)-4-Methylpiperazinium Methanesulphonate; 8-Chloro-10-(4-Methylpiperazino)-10,11-Dihydrodibenzo(B,F)Thiepin Methanesulfonate
• Molecular Formula: C₂₀H₂₅ClN₂O₃S₂
• Molecular Weight: 441.00
• CAS Registry Number: 42505-79-3
• EINECS: 255-855-4
• SMILES: C4=C3C(N1CCN(CC1)C)CC2=CC=CC=C2SC3=CC=C4Cl.C[S](=O)(=O)O
• InChI: 1S/C19H21ClN2S.CH4O3S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;1-5(2,3)4/h2-7,13,17H,8-12H2,1H3;1H3,(H,2,3,4)
• InChIKey: XQRUOHZMMIUQSB-UHFFFAOYSA-N

Properties

• Boiling point: 437.9°C at 760 mmHg (Cal.)
• Flash point: 218.6°C (Cal.)