4′-Butoxy[1,1′-biphenyl]-4-carbonitrile
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![4′-Butoxy[1,1′-biphenyl]-4-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b2ecd6cf0a154109b7e1f76fc7840c8e.png "4′-Butoxy[1,1′-biphenyl]-4-carbonitrile")
4′-Butoxy[1,1′-biphenyl]-4-carbonitrile
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CAS No:
52709-87-2
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Formula:
C17H17NO
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Chemical Name:
4′-Butoxy[1,1′-biphenyl]-4-carbonitrile
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Synonyms:
[1,1′-Biphenyl]-4-carbonitrile,4′-butoxy-;4′-Butoxy[1,1′-biphenyl]-4-carbonitrile;4′-Butoxy-4-biphenylcarbonitrile;4′-n-Butyloxy-4-cyanobiphenyl;4-Cyano-4′-n-butoxybiphenyl;4OCB;4-(n-Butoxy)-4′-cyano-1,1′-biphenyl;4′-Butoxy-4-cyanobiphenyl;4′-Butoxy-1,1′-biphenyl-4-carbonitrile
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CAS No:
4′-Butoxy[1,1′-biphenyl]-4-carbonitrile Basic Attributes
251.32
251.32
258-123-2
DTXSID0068789
2926909090
Characteristics
33
4.5
1.1±0.1 g/cm3
78 °C
405.5°C at 760 mmHg
170.3±20.6 °C
1.573
LD50 oral in rat: > 10gm/kg
Safety Information
DV1764000
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, P501
H315
|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4′-Butoxy[1,1′-biphenyl]-4-carbonitrile Use and Manufacturing
General procedure: The representative cross-coupling procedure given for Table 2 was followed with the following reagents and conditions: arylchloride 1c-1e (0.875 mmol, 3.5 equiv.), BiAr3 (0.25 mmol, 1 equiv.), Pd(OAc)2 (0.025 mmol, 0.1 equiv.), PCy3 (0.1 mmol, 0.4 equiv.), Cs2CO3 (0.75 mmol, 3 equiv.), TBAI (1.25 mmol, 5 equiv.) and DMF (3 mL) at 110 C for 4 h.
Intermediates of Liquid Crystals
[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-: INACTIVE
Computed Properties
Molecular Weight:251.32
XLogP3:4.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:251.131014166
Monoisotopic Mass:251.131014166
Topological Polar Surface Area:33
Heavy Atom Count:19
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4′-Butoxy[1,1′-biphenyl]-4-carbonitrile
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