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CAS No.: | 14080-23-0 |
---|---|
Name: | 2-Cyanopyrimidine |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C5H3N3 |
Molecular Weight: | 105.099 |
Synonyms: | 2-Pyrimidinecarbonitrile;2-cyanpyrimidine; |
EINECS: | 604-202-5 |
Density: | 1.22 g/cm3 |
Melting Point: | 40-44 °C(lit.) |
Boiling Point: | 250.7 °C at 760 mmHg |
Flash Point: | 97.2 °C |
Appearance: | crystalline solid |
Hazard Symbols: | Xn,C,F |
Risk Codes: | 22-37/38-41-43-34-11 |
Safety: | 26-36/37/39-45-16 |
PSA: | 49.57000 |
LogP: | 0.34828 |
tetraethylammoniumcyanide
N,N,N-trimethylpyrimidin-2-aminium chloride
2-cyanopyrimidine
Conditions | Yield |
---|---|
In dichloromethane at 20℃; for 0.5h; | 93% |
In dichloromethane for 0.5h; Ambient temperature; | 84% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In dimethyl sulfoxide; isopropyl alcohol at 30 - 35℃; for 5h; | 93% |
In N,N-dimethyl-formamide at 60 - 70℃; for 24h; | 49% |
With trimethylamine In N,N-dimethyl-formamide at 25℃; for 66h; Product distribution; Thermodynamic data; ΔH, E(a); var. catalysts, solvents and times; | 95 % Chromat. |
Conditions | Yield |
---|---|
With racemic 2-di-tert-butylphosphino-1,1'-binaphthyl; palladium(II) trifluoroacetate; zinc In N,N-dimethyl acetamide at 80℃; for 6h; | 86.6% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane In water; dimethyl sulfoxide | 82% |
Conditions | Yield |
---|---|
With 1,4-diaza-bicyclo[2.2.2]octane; water In dimethyl sulfoxide at 20℃; for 48h; | 80% |
With tetraethylammonium acetate In water; N,N-dimethyl-formamide at 90℃; for 48h; | 27% |
Conditions | Yield |
---|---|
With 3-quinuclidinol In dimethyl sulfoxide at 70℃; for 2.5h; | 71% |
With 1,4-diaza-bicyclo[2.2.2]octane In water; dimethyl sulfoxide at 20℃; for 48h; | 65% |
With 1,4-diaza-bicyclo[2.2.2]octane In dimethyl sulfoxide at 20℃; for 48h; |
tetra-n-butylammonium cyanide
2-cyanopyrimidine
Conditions | Yield |
---|---|
In acetonitrile at 22℃; for 1h; Sandmeyer Reaction; | 69% |
pyrimidin-2-carbaldehyde oxime
2-cyanopyrimidine
Conditions | Yield |
---|---|
With Burgess Reagent In dichloromethane at 25℃; for 2h; Dehydration; | 63% |
Conditions | Yield |
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With benzene Erwaermen des Reaktionsprodukts mit KCN in Gegenwart von Acetamid; |
2-chloropyrimidine
2-cyanopyrimidine
Conditions | Yield |
---|---|
With sodium sulfite Erhitzen des Reaktionsprodukts mit KCN im Vakuum; | |
With 1,4-diaza-bicyclo[2.2.2]octane; sodium hydroxide In water; dimethyl sulfoxide | |
In water; dimethyl sulfoxide |
Molecular Structure of 2-Cyanopyrimidine (CAS NO. 14080-23-0):
IUPAC Name: Pyrimidine-2-carbonitrile
Molecular Formula: C5H3N3
Molecular Weight: 105.09742 g/mol
XLogP3: -0.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Canonical SMILES: C1=CN=C(N=C1)C#N
InChI: InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H
InChIKey: IIHQNAXFIODVDU-UHFFFAOYSA-N
Index of Refraction: 1.54
Molar Refractivity: 26.91 cm3
Molar Volume: 85.7 cm3
Surface Tension: 65.8 dyne/cm
Density: 1.22 g/cm3
Flash Point: 97.2 °C
Enthalpy of Vaporization: 48.79 kJ/mol
Boiling Point: 250.7 °C at 760 mmHg
Vapour Pressure: 0.0214 mmHg at 25 °C
Melting Point: 40-44 °C(lit.)
Safety Information of 2-Cyanopyrimidine (CAS NO. 14080-23-0):
Hazard Codes: Xn ,C ,F
Hazard Note: Harmful
Risk Statements: 22-37/38-41-43-34-11
R22:Harmful if swallowed
R37/38:Irritating to respiratory system and skin
R41:Risk of serious damage to the eyes
R43:May cause sensitization by skin contact
R34:Causes burns
R11:Highly flammable
Safety Statements: 26-36/37/39-45-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S16:Keep away from sources of ignition
RIDADR: 3276
WGK Germany: 3
HazardClass: IRRITANT
2-Cyanopyrimidine with cas registry number of 14080-23-0 is also known as 2-Pyrimidinecarbonitrile ; pyrimidine-2-carbonitrile ; 646830_ALDRICH ; MolPort-000-153-735 ; ZINC02531032 ; ALBB-006249 ; STK503786 ; CID2757979 ; HC210003 . 2-Cyanopyrimidine can be used as pharmaceutical intermediate.