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CAS No.: | 79463-77-7 |
---|---|
Name: | Diphenyl N-cyanocarbonimidate |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C14H10N2O2 |
Molecular Weight: | 238.246 |
Synonyms: | Carbonimidicacid, cyano-, diphenyl ester (9CI);Diphenoxymethylenecyanamide;DiphenylN-cyanocarbonimidate;Diphenyl N-cyanoimidocarbonate;Diphenylcyanocarbonimidate; |
EINECS: | 427-300-8 |
Density: | 1.1 g/cm3 |
Melting Point: | 155-158 °C(lit.) |
Boiling Point: | 341.3 °C at 760 mmHg |
Flash Point: | 160.2 °C |
Solubility: | Insoluble in water. |
Appearance: | white fluffy powder |
Hazard Symbols: | Xn |
Risk Codes: | R20/21/22;R36/37/38 |
Safety: | S26;S36/37 |
PSA: | 54.61000 |
LogP: | 2.98148 |
Conditions | Yield |
---|---|
In ethyl acetate 1.) not above 80 deg C, 2.) R.T., 3.5 h.; | 91% |
In ethyl acetate <60 deg C; | 51% |
bis(phenyl) carbonate
N-cyanodiphenylcarbonimidate
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 78 percent / PCl5 / 16 h / 155 °C 2: 51 percent / ethyl acetate / <60 deg C View Scheme | |
Multi-step reaction with 2 steps 1: 96 percent / phosphorus pentachloride / 1.) 160 deg C, 24 h, 2.) 200 deg 15 min. 2: 91 percent / ethyl acetate / 1.) not above 80 deg C, 2.) R.T., 3.5 h. View Scheme |
N-cyanodiphenylcarbonimidate
3-Amino-5-phenoxy-1H-1,2,4-triazole
Conditions | Yield |
---|---|
With hydrazine In methanol at 0 - 20℃; for 2h; | 100% |
With hydrazine In isopropyl alcohol for 3h; Heating; | 59.5% |
N-cyanodiphenylcarbonimidate
aniline
N-cyano-N'-phenylcarbamimidic acid phenyl ester
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In isopropyl alcohol at 20℃; for 3h; | 100% |
In isopropyl alcohol for 2h; Ambient temperature; | 98% |
In acetonitrile at 20℃; for 18h; | |
In isopropyl alcohol | |
In isopropyl alcohol at 20℃; |
N,N-dimethylammonium chloride
N-cyanodiphenylcarbonimidate
O-phenyl-N-cyano-N',N'-dimethylurea
Conditions | Yield |
---|---|
In tetrahydrofuran | 100% |
N-cyanodiphenylcarbonimidate
1-(3-chloro-2-fluorophenyl)-N-[(10R,14S)-5-{[(1Z)-(cyanoimino)(phenoxy)methyl]amino}-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyl-1H-1,2,3-triazole-4-carboxamide
Conditions | Yield |
---|---|
With pyridine In isopropyl alcohol at 20℃; for 2h; | 99% |
N-cyanodiphenylcarbonimidate
(R)-N-[1-(3-bromophenyl)ethyl] acetamide
Conditions | Yield |
---|---|
Stage #1: N-cyanodiphenylcarbonimidate; (R)-N-[1-(3-bromophenyl)ethyl] acetamide In isopropyl alcohol at 20 - 60℃; Stage #2: With hydrazine hydrate In methanol at 50℃; for 4h; | 99% |
4-benzyloxyaniline hydrochloride
N-cyanodiphenylcarbonimidate
C21H17N3O2
Conditions | Yield |
---|---|
Stage #1: 4-benzyloxyaniline hydrochloride With triethylamine In isopropyl alcohol at 20℃; for 0.166667h; Stage #2: N-cyanodiphenylcarbonimidate In isopropyl alcohol at 20℃; for 3.5h; | 98% |
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 1h; | 98% |
(8S)-N-methyl-N-({1-[(3S)-3-piperidinylmethyl]-1H-benzimidazol-2-yl}methyl)-5,6,7,8-tetrahydro-8-quinolinamine
N-cyanodiphenylcarbonimidate
Conditions | Yield |
---|---|
In isopropyl alcohol at 20℃; | 97% |
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Molecular Structure of Diphenyl N-cyanocarbonimidate (CAS NO.79463-77-7):
IUPAC Name: diphenoxymethylidenecyanamide
Empirical Formula: C14H10N2O2
Molecular Weight: 238.2414
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 54.61 Å2
Index of Refraction: 1.56
Molar Refractivity: 69.71 cm3
Molar Volume: 215.4 cm3
Surface Tension: 42.6 dyne/cm
Density: 1.1 g/cm3
Flash Point: 160.2 °C
Enthalpy of Vaporization: 58.49 kJ/mol
Boiling Point: 341.3 °C at 760 mmHg
\Vapour Pressure: 8.13E-05 mmHg at 25°C
EINECS: 427-300-8
Product Categories: Aromatic Nitriles; Amidates/Imidates; Nitrogen Compounds; Organic Building Blocks
SMILES: N#C\N=C(/Oc1ccccc1)Oc2ccccc2
InChI: InChI=1/C14H10N2O2/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H
Hazard Codes: Xn
Risk Statements: 20/21/22-36/37/38
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: 26-36/37
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
HazardClass: 6.1
PackingGroup: III
Diphenyl N-cyanocarbonimidate , with CAS number of 79463-77-7, can be called Carbonimidic acid, cyano-, diphenyl ester ; carbonimidic acid, N-cyano-, diphenyl ester . It is a white fluffy powder.