| Identification | More | [Name]
Diphenyl N-cyanocarbonimidate | [CAS]
79463-77-7 | [Synonyms]
AURORA KA-4382
CYANOCARBONIMIDIC ACID DIPHENYL ESTER
DIPHENYL CYANOCARBONIMIDATE
DIPHENYL N-CYANOCARBONIMIDATE
N-CYANODIPHENYLIMIDOCARBONATE
Diphenyl cyanocarbonimidate (Diphenoxymethylenecyanamide)
Cyanocarbonimidiaaciddiphenylaester
Diphenylcyanocarbonimidate,97%
N-Cyanocarbonimidic Acid Diphenyl Ester | [EINECS(EC#)]
427-300-8 | [Molecular Formula]
C14H10N2O2 | [MDL Number]
MFCD00010380 | [Molecular Weight]
238.24 | [MOL File]
79463-77-7.mol |
| Chemical Properties | Back Directory | [Appearance]
white fluffy powder | [Melting point ]
155-158 °C (lit.) | [Boiling point ]
380.84°C (rough estimate) | [density ]
1.1907 (rough estimate) | [refractive index ]
1.6500 (estimate) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [solubility ]
sol THF, propan-2-ol. | [form ]
Fluffy Powder | [pka]
-6.70±0.50(Predicted) | [color ]
White | [Water Solubility ]
Insoluble in water. | [Sensitive ]
Moisture Sensitive | [Detection Methods]
HPLC,NMR | [BRN ]
4254248 | [InChI]
InChI=1S/C14H10N2O2/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H | [InChIKey]
SLIKWVTWIGHFJE-UHFFFAOYSA-N | [SMILES]
C(=N/C#N)(/OC1=CC=CC=C1)\OC1=CC=CC=C1 | [CAS DataBase Reference]
79463-77-7(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
3439 | [WGK Germany ]
3
| [F ]
10-21 | [REACH Registrations]
Inactive | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Chronic 3
Eye Dam. 1 |
| Hazard Information | Back Directory | [Chemical Properties]
white fluffy powder | [Uses]
Diphenyl N-cyanocarbonimidate has been used in the preparation of N-substituted 2-amino-4H-3,1-benzoxazines, cyanoguanidine derivatives, oxadiazoles. | [Preparation]
Diphenyl Cyanocarbonimidate is prepared from diphenyl carbonate by treatment with PCl5 followed by cyanamide.[1] | [storage]
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. | [References]
1. Webb, R. L.; Labaw, C. S. JHC 1982, 19, 1205. |
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