Diphenyl N-cyanocarbonimidate
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Diphenyl N-cyanocarbonimidate
structure -
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CAS No:
79463-77-7
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Formula:
C14H10N2O2
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Chemical Name:
Diphenyl N-cyanocarbonimidate
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Synonyms:
AURORA KA-4382;CYANOCARBONIMIDIC ACID DIPHENYL ESTER;DIPHENYL N-CYANOCARBONIMIDATE;DIPHENYL CYANOCARBONIMIDATE;N-CYANODIPHENYLIMIDOCARBONATE;Diphenyl cyanocarbonimidate (Diphenoxymethylenecyanamide);Cyanocarbonimidiaaciddiphenylaester;N-Cyanocarbonimidic Acid Diphenyl Ester
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CAS No:
Diphenyl N-cyanocarbonimidate Basic Attributes
238.24
238.24
4254248
427-300-8
DTXSID70350786
White
29269090
Characteristics
54.61000
2.98148
white fluffy powder
1.1907 (rough estimate)
155-158 °C (lit.)
380.84°C (rough estimate)
160.2ºC
1.6500 (estimate)
Insoluble in water.
-6.70±0.50(Predicted)
under inert gas (nitrogen or Argon) at 2-8°C
Safety Information
III
6.1
UN 3439
3
Xn
26-36/37
Xn
Diphenyl Cyanocarbonimidate is harmful if swallowed and irritating to the eyes and respiratory system. Care should be taken not to inhale the powder nor to allow it to come in contact with the skin. It is sensitive to moisture. It should be disposed of by dissolving in a solvent and burning the solution in an approved incinerator. Use in a fume hood.
20/21/22-36/37/38
3439
|Danger|H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]|P273, P280, P305+P351+P338, P310, and P501|H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Diphenyl N-cyanocarbonimidate Use and Manufacturing
Diphenyl N-cyanocarbonimidate has been used in the preparation of N-substituted 2-amino-4H-3,1-benzoxazines, cyanoguanidine derivatives, oxadiazoles.
Diphenyl Cyanocarbonimidate (DPCC) is used for preparation of heterocycles, 1,2,4-triazoles, 4-oxa-1,3-diazoles, benzimidazoles, hexahydropyrimidines, and hydroquinazolines; synthesis of O-phenylisoureas, N-cyanoguanidines, and guanidines; modification of peptides; reverse electron demand Diels-Alder heterodieneophile.
Computed Properties
Molecular Weight:238.24
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:238.074227566
Monoisotopic Mass:238.074227566
Topological Polar Surface Area:54.6
Heavy Atom Count:18
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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