4-METHYL-3-OXOPENTANENITRILE
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4-METHYL-3-OXOPENTANENITRILE
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CAS No:
29509-06-6
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Formula:
C6H9NO
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Chemical Name:
4-METHYL-3-OXOPENTANENITRILE
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Synonyms:
3-Oxo-4-methylpentanenitrile;Isobutyrylacetonitrile;Isopropyl cyanomethylketone;Isobutanoylacetonitrile, 1-Cyano-3-methylbutan-2-one;Isobutanoylacetonitrile, 4-Methyl-3-oxovaleronitrile;Pentanenitrile, 4-methyl-3-oxo-;EOS-60940;4-methyl-3-oxovaleronitrile
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CAS No:
Characteristics
40.86000
1.12518
0.938±0.06 g/cm3
62-65 °C
102-104 °C
50.599ºC
1.416
2.43mmHg at 25°C
9.90±0.10
Safety Information
Ⅲ
6.1
2810
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:111.14
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:111.068413911
Monoisotopic Mass:111.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:8
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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