trans,trans-3,4,5-Trifluoro-4'-(4'-propylbicyclohexyl-4-yl)biphenyl
Catalog Number
ACM137529410-3
CAS
137529-41-0
IUPAC Name
1,2,3-trifluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
Synonyms
3,4,5-Trifluoro-4'-((trans,trans)-4'-propyl-[1,1'-bi(cyclohexan)]-4-yl)-1,1'-biphenyl
Molecular Weight
414.56
Molecular Formula
C27H33F3
Product Information
Canonical SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C27H33F3/c1-2-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)22-12-14-23(15-13-22)24-16-25(28)27(30)26(29)17-24/h12-21H,2-11H2,1H3
InChI Key
LQRASBADJFXRBP-UHFFFAOYSA-N
Boiling Point
486.097 °C / 760 mmHg
Melting Point
103 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
486
Exact Mass
414.253436g/mol
Hazard Statements
H302-H315-H319-H335
Heavy Atom Count
30
MDL Number
MFCD13188632
Monoisotopic Mass
414.253436g/mol
Precautionary Statements
P261-P305+P351+P338
Reaxys Registry Number
7222291
Refractive Index
1.49
Rotatable Bond Count
5
Signal Word
Warning
Specific Gravity
1.04
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