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| CAS No.: | 1436-43-7 |
|---|---|
| Name: | QUINOLINE-2-CARBONITRILE |
| Article Data: | 75 |
| Molecular Structure: | |
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| Formula: | C10H6N2 |
| Molecular Weight: | 154.171 |
| Synonyms: | Quinaldonitrile(6CI,7CI,8CI);2-Cyanoquinoline;Quinoline-2-nitrile; |
| EINECS: | 215-865-1 |
| Density: | 1.211 g/cm3 |
| Melting Point: | 93-95 °C(lit.) |
| Boiling Point: | 323.69 °C at 760 mmHg |
| Flash Point: | 115.537 °C |
| Solubility: | Insoluble in water. |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 36.68000 |
| LogP: | 2.10648 |
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Specification
The 2-Quinolinecarbonitrile, with the CAS registry number 1436-43-7, is also known as 2-Cyanoquinoline. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinolines. Its EINECS registry number is 215-865-1. This chemical's molecular formula is C10H6N2 and molecular weight is 154.16804. Its IUPAC name is called quinoline-2-carbonitrile. The product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 2-Quinolinecarbonitrile: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.68; (5)ACD/BCF (pH 7.4): 9.68; (6)ACD/KOC (pH 5.5): 176.77; (7)ACD/KOC (pH 7.4): 176.77; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.654; (10)Molar Refractivity: 46.67 cm3; (11)Molar Volume: 127.2 cm3; (12)Surface Tension: 59.4 dyne/cm; (13)Density: 1.21 g/cm3; (14)Flash Point: 115.5 °C; (15)Enthalpy of Vaporization: 56.56 kJ/mol; (16)Boiling Point: 323.7 °C at 760 mmHg; (17)Vapour Pressure: 0.000258 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-bromo-quinoline and hydrogen cyanide; copper(1+) salt. This reaction is a kind of Substitution//Cyanation. It will need reagent Et4NCN, diphenylphosphinoferrocene and solvent dioxane. The reaction time is 1 hour. The yield is about 77%.
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Uses of 2-Quinolinecarbonitrile: it can be used to produce quinoline-2-carboxylic acid amide. This reaction will need reagent aqueous H2O2, aqueous NaOH and acetone.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)C#N
(2)InChI: InChI=1S/C10H6N2/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H
(3)InChIKey: WDXARTMCIRVMAE-UHFFFAOYSA-N