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Name	Diphenyl N-cyanocarbonimidate	EINECS	427-300-8
CAS No.	79463-77-7	Density	1.1 g/cm³
PSA	54.61000	LogP	2.98148
Solubility	Insoluble in water.	Melting Point	155-158 °C(lit.)
Formula	C₁₄H₁₀N₂O₂	Boiling Point	341.3 °C at 760 mmHg
Molecular Weight	238.246	Flash Point	160.2 °C
Transport Information	N/A	Appearance	white fluffy powder
Safety	S26;S36/37	Risk Codes	R20/21/22;R36/37/38
Molecular Structure		Hazard Symbols	Xn
Synonyms	Carbonimidicacid, cyano-, diphenyl ester (9CI);Diphenoxymethylenecyanamide;DiphenylN-cyanocarbonimidate;Diphenyl N-cyanoimidocarbonate;Diphenylcyanocarbonimidate;	Article Data	2

Diphenyl N-cyanocarbonimidate Synthetic route

: 420-04-2
CYANAMID

: 4885-03-4
dichlorodiphenoxymethane

: 79463-77-7
N-cyanodiphenylcarbonimidate

Conditions

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%

: 102-09-0
bis(phenyl) carbonate

: 79463-77-7
N-cyanodiphenylcarbonimidate

Conditions

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

: 79463-77-7
N-cyanodiphenylcarbonimidate

: 146335-71-9
3-Amino-5-phenoxy-1H-1,2,4-triazole

Conditions

Conditions	Yield
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

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℃;

: 506-59-2
N,N-dimethylammonium chloride

: 79463-77-7
N-cyanodiphenylcarbonimidate

: 167494-04-4
O-phenyl-N-cyano-N',N'-dimethylurea

Conditions

Conditions	Yield
In tetrahydrofuran	100%

: 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

Conditions	Yield
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

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%

: 51388-20-6
4-benzyloxyaniline hydrochloride

: 79463-77-7
N-cyanodiphenylcarbonimidate

: 929267-13-0
C21H17N3O2

Conditions

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%

: 79463-77-7
N-cyanodiphenylcarbonimidate

: 1008-91-9
4-(piperazin-1-yl)pyridine

: 1400691-99-7
C17H17N5O

Conditions

Conditions	Yield
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

Conditions	Yield
In isopropyl alcohol at 20℃;	97%

Diphenyl N-cyanocarbonimidate Chemical Properties

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

Diphenyl N-cyanocarbonimidate Safety Profile

Hazard Codes: Harmful 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 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.

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