3-Pyridineacetonitrile, 1-oxide
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3-Pyridineacetonitrile, 1-oxide
structure -
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CAS No:
6635-88-7
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Formula:
C7H6N2O
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Chemical Name:
3-Pyridineacetonitrile, 1-oxide
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Synonyms:
3-Pyridineacetonitrile,1-oxide;NSC 52455;3-(Cyanomethyl)pyridine 1-oxide;2-(1-Oxidopyridin-1-ium-3-yl)acetonitrile
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CAS No:
Characteristics
49.25000
1.18118
1.1g/cm3
135.5-136.5 °C @ Solvent: Chloroform, Benzene
398.9ºC at 760 mmHg
195.1ºC
1.555
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:134.14
XLogP3:-0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:134.048012819
Monoisotopic Mass:134.048012819
Topological Polar Surface Area:49.2
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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