4,4'-Bis(trans-4-propylcyclohexyl)biphenyl
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Basic information
- CAS
85600-56-2- Standard SMILES
CCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1- InChIKey
LUCHFKBTWHPREI-KKLUKGEUSA-N- Molecular formula
- C30H42
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 402.32865134
Overview
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Names & identifiers
- Preferred name
- 4,4'-Bis(trans-4-propylcyclohexyl)biphenyl
- IUPAC
- 1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
- English name
- 1,1′-Biphenyl, 4,4′-bis(trans-4-propylcyclohexyl)-
- Molecular formula
- C30H42
- Molecular weight
- 402.66
Names & synonyms
4,4'-bis(trans-4-propylcyclohexyl)biphenylRefChem:506580617-728-585600-56-24,4'-Bis(trans-4-propylcyclohexyl)-1,1'-biphenyltrans,trans-4,4'-Bis-(4-propylcyclohexyl)-biphenyl1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzeneMFCD11053445C30H424-n-propyl cyclohexyl-4'-n-propyl cyclohexyl biphenyl4,4'-Bis(4-propylcyclohexyl)-1,1'-biphenylb3cHB
Show more names
CBC33ZLI-1987Propyl cyclohexyl to propyl cyclohexyl biphenyl1,1'-Biphenyl,4,4'-bis(trans-4-propylcyclohexyl)-1,1′-Biphenyl, 4,4′-bis(trans-4-propylcyclohexyl)-TRANS,TRANS-4,4''-BIS-(4-PROPYLCYCLOHEXYL)-BIPHENYL
SCHEMBL2383177SCHEMBL4796050DTXSID603482734,4'-bis(4-propylcyclohexyl)biphenylAKOS015917728AKOS021983131AKOS027327540SB66833
Database identifiers
Properties
Computed structural propertiesFilling in
- XLogP
- 11.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
Physicochemical properties
- Boiling point
- 520.713 · 520.713±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.947 · 0.947±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 85600 · 85600-56-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2902.9 · 2902.90.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- hs_code
- 2902.90.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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