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14080-23-0

Basic Information
CAS No.: 14080-23-0
Name: 2-Cyanopyrimidine
Article Data: 24
Cas Database
Molecular Structure:
Molecular Structure of 14080-23-0 (2-Cyanopyrimidine)
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
Solubility: N/A
Appearance: crystalline solid
Hazard Symbols: HarmfulXn,CorrosiveC,FlammableF
Risk Codes: 22-37/38-41-43-34-11
Safety: 26-36/37/39-45-16
Transport Information: N/A
PSA: 49.57000
LogP: 0.34828
Synthetic route
13435-20-6

tetraethylammoniumcyanide

14395-12-1

N,N,N-trimethylpyrimidin-2-aminium chloride

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
In dichloromethane at 20℃; for 0.5h;93%
In dichloromethane for 0.5h; Ambient temperature;84%
1722-12-9

2-chloropyrimidine

143-33-9

sodium cyanide

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
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.
1722-12-9

2-chloropyrimidine

557-21-1

dicyanozinc

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
With racemic 2-di-tert-butylphosphino-1,1'-binaphthyl; palladium(II) trifluoroacetate; zinc In N,N-dimethyl acetamide at 80℃; for 6h;86.6%
1722-12-9

2-chloropyrimidine

773837-37-9

sodium cyanide

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane In water; dimethyl sulfoxide82%
1722-12-9

2-chloropyrimidine

151-50-8

potassium cyanide

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
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%
1722-12-9

2-chloropyrimidine

potassium cyanide

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
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;

pyrimidine-2-diazonium o-benzenedisulfonimide

10442-39-4

tetra-n-butylammonium cyanide

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
In acetonitrile at 22℃; for 1h; Sandmeyer Reaction;69%
39232-40-1

pyrimidin-2-carbaldehyde oxime

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
With Burgess Reagent In dichloromethane at 25℃; for 2h; Dehydration;63%
1722-12-9

2-chloropyrimidine

75-50-3

trimethylamine

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
With benzene Erwaermen des Reaktionsprodukts mit KCN in Gegenwart von Acetamid;
1722-12-9

2-chloropyrimidine

14080-23-0

2-cyanopyrimidine

Conditions
ConditionsYield
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
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    Product Name: 2-Cyanopyrimidine Synonyms: 2-CYANOPYRIMIDINE, 98+%;PYRIMIDINE-2-CARBONITRILE (2-CYANOPYRIMIDINE);2-Cyanopyrimidine ,99%;NaMe: 2-CyanopyriMidine;2-Cyanopyrimidine, 2-Cyano-1,3-diazine;2-PyriMidinecarbonitrile 97%;2CPM;2-CPY CA

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Chemistry

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 Profile

Safety Information of 2-Cyanopyrimidine (CAS NO. 14080-23-0):
Hazard Codes: Xn Harmful,C Corrosive ,F Highly
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

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.