trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
Catalog Number
ACM131819233-3
CAS
131819-23-3
IUPAC Name
1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Molecular Weight
338.46
Molecular Formula
C21H29F3
Product Information
Canonical SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C21H29F3/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-19(22)21(24)20(23)13-18/h12-17H,2-11H2,1H3
InChI Key
FEWMLRARKGRCCE-UHFFFAOYSA-N
Boiling Point
381.167 °C / 760 mmHg
Melting Point
66 °C
Purity
>98.0%(GC)
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
357
Exact Mass
338.222135g/mol
Hazard Statements
H302-H315-H319-H335
Heavy Atom Count
24
MDL Number
MFCD22380673
Monoisotopic Mass
338.222135g/mol
Precautionary Statements
P261-P305+P351+P338
Reaxys Registry Number
8001929
Refractive Index
1.49
Rotatable Bond Count
4
Signal Word
Warning
Specific Gravity
1.04
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