4-Ethyl-4′-cyanobiphenyl
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4-Ethyl-4′-cyanobiphenyl
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CAS No:
58743-75-2
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Formula:
C15H13N
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Chemical Name:
4-Ethyl-4′-cyanobiphenyl
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Synonyms:
[1,1′-Biphenyl]-4-carbonitrile,4′-ethyl-;4′-Ethyl[1,1′-biphenyl]-4-carbonitrile;CB 2 (nematogen);4-Ethyl-4′-cyanobiphenyl;4-Cyano-4′-ethylbiphenyl;CB 2;2CB;2-BB-C;4′-Ethylbiphenyl-4-carbonitrile
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CAS No:
Safety Information
Ⅲ
6.1
3276
20/21-36/37/38-41-20/21/22
26-36/37/39
Xn
P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P501
H302+H312+H332
|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Ethyl-4′-cyanobiphenyl Use and Manufacturing
General procedure: The aryl halide (0.5 mmol), arylboronic acid (0.75 mmol), Cell-NHC-Pd (0.75 molpercent), KGeneral procedure: The aryl halide (0.5 mmol), arylboronic acid (0.75 mmol), Cell-NHC-Pd (0.75 mol%), K2CO3(1 mmol) and DMF:H2O (1:1) (2.5 mL)were successively added into a 25 mL round bottom flask. The mixture was stirred vigorously at 80 C for the varying specific length of time based on each different substrate. After reaction completion, the solid catalyst was filtered off. The filtrate was extracted with ethyl acetate (3 × 5 mL), washed with water and brine three times, and then dried over anhydrous MgSO4. The MgSO4 was then filtered off. After removal of the solvent, the crude product was purified by preparative TLC (eluent: petroleum ether/ethyl acetate, 20/1) to give the desired product and calculate the yield.
Intermediates of Liquid Crystals
[1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-: ACTIVE
Computed Properties
Molecular Weight:207.27
XLogP3:4.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:207.104799419
Monoisotopic Mass:207.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:16
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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