Basic information
- Name:
4-Cyanopyridine
- CAS No.:
100-48-1
- Molecular Structure:
- Formula:
- C6H4N2
- Molecular Weight:
- 104.11
- Synonyms:
- Isonicotinonitrile(6CI,8CI);4-Azabenzonitrile;4-Pyridinenitrile;4-Pyridylcyanide;4-Pyridylcarbonitrile;Isonicotinic acid nitrile;NSC 60681;g-Cyanopyridine;4-Pyridinecarbonitrile;
- EINECS:
- 202-856-2
- Density:
- 1.12 g/cm3
- Melting Point:
- 76-79 °C(lit.)
- Boiling Point:
- 196.3 °C at 760 mmHg
- Flash Point:
- 82.7 °C
- Solubility:
- 3.2 g/100ml (16.4 °C) in water
- Appearance:
- beige solid
- Hazard Symbols:
Xn- Risk Codes:
- 20/21/22
- Safety Description:
- 36/37-24/25 Details
- Transport Information:
- 3276
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Specification
The 4-Cyanopyridine, with the CAS registry number 100-48-1, is also known as Isonicotinic acid nitrile. It belongs to the product category of Pyridines Derivates. Its EINECS registry number is 202-856-2. This chemical's molecular formula is C6H4N2 and molecular weight is 104.11. Its IUPAC name is called pyridine-4-carbonitrile. The product should be sealed and stored in cool and well-ventilated place. What's more, it should be protected from strong oxides. 4-Cyanopyridine is mainly used as the pharmaceutical, pesticide intermediates products.
Physical properties of 4-Cyanopyridine: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): 0.4; (3)ACD/LogD (pH 7.4): 0.4; (4)ACD/BCF (pH 5.5): 1.2; (5)ACD/BCF (pH 7.4): 1.2; (6)ACD/KOC (pH 5.5): 39.55; (7)ACD/KOC (pH 7.4): 39.56; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.539; (10)Molar Refractivity: 29.11 cm3; (11)Molar Volume: 92.8 cm3; (12)Surface Tension: 51.4 dyne/cm; (13)Density: 1.12 g/cm3; (14)Flash Point: 82.7 °C; (15)Enthalpy of Vaporization: 43.25 kJ/mol; (16)Boiling Point: 196.3 °C at 760 mmHg; (17)Vapour Pressure: 0.401 mmHg at 25°C.
Preparation of 4-Cyanopyridine: this chemical can be prepared by 4-methyl-pyridine. This reaction is a kind of Oxidation. It will need reagents O2, ammonia and water. The yield is about 95%.
Uses of 4-Cyanopyridine: it can be used to produce 6-methyl-2-pyridin-4-yl-pyrimidin-4-ylamine with acetonitrile by heating. This reaction will need reagent LDA and solvent tetrahydrofuran with reaction time of 5 hours. The yield is about 85%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing and gloves. Finally, you must avoid contacting it with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=CC=C1C#N
(2)InChI: InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
(3)InChIKey: GPHQHTOMRSGBNZ-UHFFFAOYSA-N
