Dehydroabietylammonium pentachlorophenoxide
[CAS# 35109-57-0]

Identification

• Name: Dehydroabietylammonium pentachlorophenoxide
• Synonyms: [(1R,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methanamine; 2,3,4,5,6-Pentachlorophenol; [(1R,4As)-7-Isopropyl-1,4A-Dimethyl-2,3,4,9,10,10A-Hexahydrophenanthren-1-Yl]Methylamine; 2,3,4,5,6-Pentachlorophenol; Caswell No. 277A
• Molecular Formula: C₂₆H₃₂Cl₅NO
• Molecular Weight: 551.81
• CAS Registry Number: 35109-57-0
• EINECS: 252-371-5
• SMILES: [C@]12(C([C@@](CCC1)(CN)C)CCC3=CC(=CC=C23)C(C)C)C.C4(=C(Cl)C(=C(O)C(=C4Cl)Cl)Cl)Cl
• InChI: 1S/C20H31N.C6HCl5O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;7-1-2(8)4(10)6(12)5(11)3(1)9/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;12H/t18?,19-,20+;/m0./s1
• InChIKey: FQHFSZCYOUJICQ-MGPZMBRGSA-N

Properties

• Boiling point: 382.8°C at 760 mmHg (Cal.)
• Flash point: 156.7°C (Cal.)