4-(Octyloxy)benzonitrile
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4-(Octyloxy)benzonitrile
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CAS No:
88374-55-4
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Formula:
C15H21NO
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Chemical Name:
4-(Octyloxy)benzonitrile
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Synonyms:
Benzonitrile,4-(octyloxy)-;4-(Octyloxy)benzonitrile;4-Octyloxybenzonitrile;4-Octoxybenzonitrile
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CAS No:
Characteristics
33 Ų
0.967 g/mL at 25 °C(lit.)
26.7-27.0 °C @ Solvent: Ethanol
171-173 °C @ Press: 2 Torr
n20/D 1.513(lit.)
Safety Information
III
6.1
UN 3276 6.1/PG 3
3
20/21/22
36
Xn
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:231.33
XLogP3:5.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:231.162314293
Monoisotopic Mass:231.162314293
Topological Polar Surface Area:33
Heavy Atom Count:17
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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