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79463-77-7

Basic Information
CAS No.: 79463-77-7
Name: Diphenyl N-cyanocarbonimidate
Article Data: 2
Molecular Structure:
Molecular Structure of 79463-77-7 (Diphenyl N-cyanocarbonimidate)
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: HarmfulXn
Risk Codes: R20/21/22;R36/37/38
Safety: S26;S36/37
PSA: 54.61000
LogP: 2.98148
Synthetic route
420-04-2

CYANAMID

4885-03-4

dichlorodiphenoxymethane

79463-77-7

N-cyanodiphenylcarbonimidate

Conditions
ConditionsYield
In ethyl acetate 1.) not above 80 deg C, 2.) R.T., 3.5 h.;91%
In ethyl acetate <60 deg C;51%
102-09-0

bis(phenyl) carbonate

79463-77-7

N-cyanodiphenylcarbonimidate

Conditions
ConditionsYield
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
79463-77-7

N-cyanodiphenylcarbonimidate

146335-71-9

3-Amino-5-phenoxy-1H-1,2,4-triazole

Conditions
ConditionsYield
With hydrazine In methanol at 0 - 20℃; for 2h;100%
With hydrazine In isopropyl alcohol for 3h; Heating;59.5%
79463-77-7

N-cyanodiphenylcarbonimidate

62-53-3

aniline

84859-47-2

N-cyano-N'-phenylcarbamimidic acid phenyl ester

Conditions
ConditionsYield
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℃;
506-59-2

N,N-dimethylammonium chloride

79463-77-7

N-cyanodiphenylcarbonimidate

167494-04-4

O-phenyl-N-cyano-N',N'-dimethylurea

Conditions
ConditionsYield
In tetrahydrofuran100%

N-[(10R,14S)-5-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]-1-(3-chloro-2-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide dihydrochloride

79463-77-7

N-cyanodiphenylcarbonimidate

1422448-80-3

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
ConditionsYield
With pyridine In isopropyl alcohol at 20℃; for 2h;99%
79463-77-7

N-cyanodiphenylcarbonimidate

176707-77-0

(R)-N-[1-(3-bromophenyl)ethyl] acetamide

(R)-N3-(1-(3-bromophenyl)ethyl)-4H-1,2,4-triazole-3,5-diamine

Conditions
ConditionsYield
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%
51388-20-6

4-benzyloxyaniline hydrochloride

79463-77-7

N-cyanodiphenylcarbonimidate

929267-13-0

C21H17N3O2

Conditions
ConditionsYield
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%
79463-77-7

N-cyanodiphenylcarbonimidate

1008-91-9

4-(piperazin-1-yl)pyridine

1400691-99-7

C17H17N5O

Conditions
ConditionsYield
In dichloromethane at 20℃; for 1h;98%
876590-12-4

(8S)-N-methyl-N-({1-[(3S)-3-piperidinylmethyl]-1H-benzimidazol-2-yl}methyl)-5,6,7,8-tetrahydro-8-quinolinamine

79463-77-7

N-cyanodiphenylcarbonimidate

phenyl (3R)-N-cyano-3-{[2-({methyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)-1H-benzimidazol-1-yl]methyl}-1-piperidinecarboximidoate

Conditions
ConditionsYield
In isopropyl alcohol at 20℃;97%
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Chemistry

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

Safety Profile

Hazard Codes: HarmfulXn
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

Specification

  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.