(1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-
Basic information
- CAS
54211-46-0- Standard SMILES
CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1- InChIKey
AITQOXOBSMXBRV-UHFFFAOYSA-N- Molecular formula
- C24H23N
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.18304974
Names & identifiers
- Preferred name
- (1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-
- IUPAC
- 4-[4-(4-pentylphenyl)phenyl]benzonitrile
- English name
- 4-Cyano-4'-pentylterphenyl
- Molecular formula
- C24H23N
- Molecular weight
- 325.45
Names & synonyms
[1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl-4-Cyano-4'-pentylterphenyl(1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-EINECS 259-028-94''-Pentyl-p-terphenyl-4-carbonitrileDTXSID2068923RefChem:391154DTXCID1041639259-028-954211-46-04''-Pentyl-[1,1':4',1''-terphenyl]-4-carbonitrile4-Cyano-4''-N-pentyl-p-terphenyl
Show more names
5CTT15RO-CB-5515RO-CM-55154-Pentyl-1,1'4-pentylcyaterphenylPenta triphenylnitrile4-pentyl terphenonitrile
4-Cyano-4''-pentyl-p-terphenyl4-[4-(4-pentylphenyl)phenyl]benzonitrileMFCD007994234-Cyano-4-n-Pentyl-p-Cphenyl4''-pentyl-4-cyanoterphenylAKOS015914637C24H23N4-Cyano-4"-pentyl-p-terphenyl
Database identifiers
- CAS
54211-46-0- PubChem CID
- 104707
- DTXSID
DTXSID2068923- EC Number
- 259-028-9
- Nikkaji
- J22.338G
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- Melting point
- 128 · 128-130°C
- Boiling point
- 508.7 · 508.7±39.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- λmax
- 300 nm · 300nm(CH3CN)(lit.)
- CAS DataBase Reference
- 54211 · 54211-46-0(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · [1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl- (54211-46-0)
- Symbol(GHS)
- 6 · GHS06
- Signal word
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
Warning
H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: [1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl-
Hazard Classes and CategoriesAcute Tox. 4 (83.3%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 20/21-36/37/38-65-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 26-36/37/39-36/37-9
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331
- Precautionary statements
- P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1':4',1''-Terphenyl]-4-carbonitrile, 4''-pentyl-: ACTIVE
Applications
UsesIntermediates of Liquid Crystals
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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