4′-(Octyloxy)-4-cyanobiphenyl
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4′-(Octyloxy)-4-cyanobiphenyl
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CAS No:
52364-73-5
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Formula:
C21H25NO
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Chemical Name:
4′-(Octyloxy)-4-cyanobiphenyl
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Synonyms:
[1,1′-Biphenyl]-4-carbonitrile,4′-(octyloxy)-;4′-(Octyloxy)[1,1′-biphenyl]-4-carbonitrile;4-Cyano-4′-(octyloxy)-1,1′-biphenyl;4-Cyano-4′-(octyloxy)biphenyl;p-Cyano-p′-(octyloxy)biphenyl;4′-(n-Octyloxy)-4-cyanobiphenyl;4-(Octyloxy)-4′-cyanobiphenyl;4-Cyano-4′-(n-octyloxy)biphenyl;4′-(Octyloxy)-4-cyanobiphenyl;p-(Octyloxy)-p′-cyanobiphenyl;4′-(Octyloxy)-4-biphenylcarbonitrile;8OCB;M 24 (liquid crystal);M 24;4-(4-Octyloxyphenyl)benzonitrile;4-Cyano-4′-octoxy-1,1′-biphenyl;4′-Octyloxy-1,1′-biphenyl-4-carbonitrile;4-Cyano-4′-n-octyloxy-1,1′-biphenyl;69866-40-6
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CAS No:
Safety Information
NONH for all modes of transport
3
R20/21/22;R36/37/38
S26-S36
DV1764500
Xi
P261-P280-P305 + P351 + P338
H312-H315-H319-H332-H335
|Warning|H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4′-(Octyloxy)-4-cyanobiphenyl Use and Manufacturing
General procedure: 4'-Hydroxybiphenyl-4-carbonitrile (1) (20.0 g, 0.1 mol), potassium carbonate (28.0 g, 0.2 mol) and DMF (600 mL) were placed in a 1000 mL flask and stirred. The corresponding alkylbromide (20.0 g for 1-bromohexane, 23.0 g for 1-bromo-octane, 0.12 mol) was added and the reaction mixture was heated at 120 °C for 48 h. The mixture was then cooled to room temperature and poured onto ice water (1000 mL) and left to stand overnight. The precipitated product was isolated by filtration and crystallized from ethanol.
Intermediates of Liquid Crystals
[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-: ACTIVE
Computed Properties
Molecular Weight:307.4
XLogP3:6.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:307.193614421
Monoisotopic Mass:307.193614421
Topological Polar Surface Area:33
Heavy Atom Count:23
Complexity:342
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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