trans,trans-4'-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
Catalog Number
ACM137644543-1
CAS
137644-54-3
IUPAC Name
1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
Synonyms
trans,trans-4'-Amyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
Molecular Weight
366.51
Molecular Formula
C23H33F3
Product Information
Canonical SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H33F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
InChI Key
TXHFUCYJBLLNIG-UHFFFAOYSA-N
Boiling Point
410.2±45.0 °C / 760 mmHg
Melting Point
87 °C
Purity
>98.0%(GC)
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
384
Exact Mass
366.253436g/mol
Hazard Statements
H302-H315-H319-H335
Heavy Atom Count
26
MDL Number
MFCD17019208
Monoisotopic Mass
366.253436g/mol
Precautionary Statements
P261-P305+P351+P338
Reaxys Registry Number
7219805
Refractive Index
1.49
Rotatable Bond Count
6
Signal Word
Warning
Specific Gravity
1.04
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