4-Cyano-4′-pentylbiphenyl
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4-Cyano-4′-pentylbiphenyl
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CAS No:
40817-08-1
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Formula:
C18H19N
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Chemical Name:
4-Cyano-4′-pentylbiphenyl
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Synonyms:
[1,1′-Biphenyl]-4-carbonitrile,4′-pentyl-;4′-Pentyl[1,1′-biphenyl]-4-carbonitrile;4′-n-Pentyl-4-biphenylcarbonitrile;4-Cyano-4′-pentylbiphenyl;Pentyl cyanobiphenyl;p′-Cyano-p-pentylbiphenyl;4′-n-Pentyl-4-cyanobiphenyl;4,4′-n-Pentylcyanobiphenyl;4′-Pentyl-4-biphenylcarbonitrile;4′-Amyl-4-cyanobiphenyl;4-Pentyl-4′-cyanobiphenyl;p-Pentyl-p′-cyanobiphenyl;4-Cyano-4′-n-pentylbiphenyl;4-Amyl-4′-cyanobiphenyl;5CB;p-n-Amylbenzylidene-p′-cyanoaniline;p-Cyano-p′-pentylbiphenyl;4-n-Pentyl-4′-cyanobiphenyl;4-n-Amyl-4′-cyanobiphenyl;p-n-Pentyl-p′-cyanobiphenyl;p-Amyl-p′-cyanobiphenyl;CPB;CB 5;K 15 (liquid crystal);K 15;5BF;4′-Cyano-4-pentylbiphenyl;PCB (liquid crystal);4-Cyano-4′-pentyl-1,1′-biphenyl;4-Cyano-4′-pentyldiphenyl;4-Cyano-4′-n-pentyldiphenyl;BDH-K 15;5TsB;LC 5CB;CB 5 (liquid crystal);4′-Pentyl-4-cyanobiphenyl;4-Cyano-4′-n-pentyl-1,1′-biphenyl;C 1550;5-BB-C;5CB (liquid crystal);118217-27-9;956587-03-4
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CAS No:
Characteristics
23.8
5.4
white to light yellow crystal
1.0065 g/cm3
24 °C
178-182 °C @ Press: 2 Torr
193.5±17.3 °C
1.569
insoluble
Safety Information
III
6.1
3276
3
R20/21/22;R36/37/38
S23-S26-S28-S36-S36/37/39
Xn:Harmful
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (97.78%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Cyano-4′-pentylbiphenyl Use and Manufacturing
General procedure: To a flask containing Mg turnings (0.29 g, 12 mmol) was added1-bromo-4-methylbenzene (1.37 g, 8.0 mmol) in THF (8 mL) at room temperature. After being stirred for 2 h, DMF (1.3 mL, 12 mmol) was added to the reaction mixture. The obtained mixturewas stirred for 2 h at 0 ° C. Then, aq NH3 (7 mL, 28-30percent) and I2 (4.06 g, 16 mmol) were added to the reaction mixture. After beingstirred for 2 h at room temperature, the reaction mixture waspoured into satd aq Na2SO3 solution and was extracted with CHCl3 (3*30 mL). The organic layer was dried over Na2SO4 and filtered.After removal of the solvent, the residue was purified by shortcolumn chromatography on silica gel (eluent: hexane/ethylacetate=9:1, v/v) to provide pure 4-methyl-1-benzonitrile (0.77 g) in 82percent yield.
Intermediates of Liquid Crystals
[1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-: ACTIVE
Computed Properties
Molecular Weight:249.3
XLogP3:5.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:249.151749610
Monoisotopic Mass:249.151749610
Topological Polar Surface Area:23.8
Heavy Atom Count:19
Complexity:284
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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