AC1MI2IB structure

AC1MI2IB

N,N-dibutylbutan-1-amine;4-[(E)-1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonic acid

Also Known As: EINECS 274-826-7|4-((4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)benzenesulfonic acid, tributylammonium salt|Benzenesulfonic acid, 4-((4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl)oxy)-, compd. with N,N-dibutyl-1-butanamine (1:1)|Benzenesulfonic acid, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-, compd. with N,N-dibutyl-1-butanamine (1:1)|4-((4,4,5,5,5-Pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl)oxy)benzenesulphonic acid, compound with tributylamine (1:1)|4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]benzenesulphonic acid, compound with tributylamine (1:1)|Benzenesulfonic acid, 4-[[4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl]oxy]-, compd. with N,N-dibutyl-1-butanamine (1:1)|Benzenesulfonic acid, 4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]-, compd. with N,N-dibutyl-1-butanamine (1:1)|Benzenesulfonic acid, 4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]-, compound with N,N-dibutyl-1-butanamine (1:1)|N,N-dibutylbutan-1-amine; 4-[(E)-1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonic acid

CAS: 70729-63-4
Molecular Formula C28H32F19NO4S
Molecular Weight 839.17487 g/mol
LogP 11.3234
Topological Polar Surface Area 66.84 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 15
Exact Mass 839.17487
Monoisotopic Mass 839.17487
Heavy Atoms 53
Complexity 1381.6844

Chemical Identifiers

CAS Number 70729-63-4
SMILES CCCCN(CCCC)CCCC.C1=CC(=CC=C1O/C(=C(\C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)/C(F)(F)F)/C(F)(F)F)S(=O)(=O)O

Product Overview

AC1MI2IB (CAS 70729-63-4), with molecular formula C28H32F19NO4S and molecular weight 839.17487 g/mol. IUPAC: N,N-dibutylbutan-1-amine;4-[(E)-1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonic acid.

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