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Cas Database |
| Name |
2-Cyanopyrimidine |
EINECS | 604-202-5 |
| CAS No. | 14080-23-0 | Density | 1.22 g/cm3 |
| PSA | 49.57000 | LogP | 0.34828 |
| Solubility | N/A | Melting Point |
40-44 °C(lit.) |
| Formula | C5H3N3 | Boiling Point | 250.7 °C at 760 mmHg |
| Molecular Weight | 105.099 | Flash Point | 97.2 °C |
| Transport Information | N/A | Appearance | crystalline solid |
| Safety | 26-36/37/39-45-16 | Risk Codes | 22-37/38-41-43-34-11 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, C, F
|
| Synonyms |
2-Pyrimidinecarbonitrile;2-cyanpyrimidine; |
Article Data | 24 |
2-Cyanopyrimidine Synthetic route
- 13435-20-6
tetraethylammoniumcyanide
- 14395-12-1
N,N,N-trimethylpyrimidin-2-aminium chloride
- 14080-23-0
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; |
- 10442-39-4
tetra-n-butylammonium cyanide
- 14080-23-0
2-cyanopyrimidine
| Conditions | Yield |
|---|---|
| In acetonitrile at 22℃; for 1h; Sandmeyer Reaction; | 69% |
- 39232-40-1
pyrimidin-2-carbaldehyde oxime
- 14080-23-0
2-cyanopyrimidine
| Conditions | Yield |
|---|---|
| With Burgess Reagent In dichloromethane at 25℃; for 2h; Dehydration; | 63% |
| Conditions | Yield |
|---|---|
| With benzene Erwaermen des Reaktionsprodukts mit KCN in Gegenwart von Acetamid; |
- 1722-12-9
2-chloropyrimidine
- 14080-23-0
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 |
2-Cyanopyrimidine Chemical Properties
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.)
2-Cyanopyrimidine Safety Profile
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 Specification
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.
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