3-Phenyl-5(4H)-isoxazolone
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3-Phenyl-5(4H)-isoxazolone
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CAS No:
1076-59-1
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Formula:
C9H7NO2
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Chemical Name:
3-Phenyl-5(4H)-isoxazolone
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Synonyms:
5(4H)-Isoxazolone,3-phenyl-;2-Isoxazolin-5-one,3-phenyl-;3-Phenyl-5(4H)-isoxazolone;3-Phenyl-2-isoxazolin-5-one;3-Phenyl-Δ2-5-isoxazolinone;3-Phenyl-5-isoxazolone;4,5-Dihydro-3-phenyl-5-isoxazolone;NSC 33592;NSC 54827;NSC 60969;3-Phenyl-4,5-dihydroisoxazol-5-one;3-Phenyl-4H-1,2-oxazol-5-one;3-Phenyl-4,5-dihydro-1,2-oxazol-5-one
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CAS No:
3-Phenyl-5(4H)-isoxazolone Basic Attributes
161.16
161.16
214-064-4
VHX8DF99G7
60969|54827|33592
DTXSID3061473
29349990
Characteristics
38.66000
0.77320
pale pink solid
1.25±0.1 g/cm3 (20 ºC 760 Torr)
151-152 °C
248.1±23.0℃ (760 Torr)
117.8±17.1℃
1.5050 (estimate)
0.00561mmHg at 25°C
Safety Information
3
R23/24/25
24/25-45-36/37/39-26
T
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:161.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:161.047678466
Monoisotopic Mass:161.047678466
Topological Polar Surface Area:38.7
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
