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| CAS No.: | 19235-89-3 |
|---|---|
| Name: | 4-CHLORO-PYRIDINE-2-CARBONITRILE |
| Article Data: | 27 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C6H3ClN2 |
| Molecular Weight: | 138.556 |
| Synonyms: | Picolinonitrile,4-chloro- (6CI,8CI);2-Cyano-4-chloropyridine;4-Chloro-2-cyanopyridine;4-Chloro-2-pyridinecarbonitrile;4-Chloro-pyridine-2-carbonitrile;4-Chloropicolinonitrile; |
| EINECS: | -0 |
| Density: | 1.3±0.1 g/cm3 |
| Melting Point: | 81-85 °C |
| Boiling Point: | 231.6±20.0 °C at 760 mmHg |
| Flash Point: | 93.9±21.8 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 36.68000 |
| LogP: | 1.60668 |
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Specification
The 4-Chloropyridine-2-carbonitrile, with the CAS registry number 19235-89-3, is also known as 4-Chloro-2-cyanopyridine. It belongs to the product categories of Blocks; Carboxes; Pyridines; Boron, Nitrile, Thio,& TM-Cpds; Heterocycles; Pyridine series. This chemical's molecular formula is C6H3ClN2 and molecular weight is 138.55. What's more, its systematic name is 4-Chloro-2-pyridinecarbonitrile.
Physical properties of 4-Chloropyridine-2-carbonitrile are: (1)ACD/LogP: 1.06±0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.75; (6)ACD/BCF (pH 7.4): 3.75; (7)ACD/KOC (pH 5.5): 89.65; (8)ACD/KOC (pH 7.4): 89.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 33.9±0.4 cm3; (15)Molar Volume: 104.1±5.0 cm3; (16)Polarizability: 13.5±0.5×10-24cm3; (17)Surface Tension: 56.7±5.0 dyne/cm; (18)Density: 1.3±0.1 g/cm3; (19)Flash Point: 93.9±21.8 °C; (20)Enthalpy of Vaporization: 46.8±3.0 kJ/mol; (21)Boiling Point: 231.6±20.0 °C at 760 mmHg; (22)Vapour Pressure: 0.1±0.5 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It has a risk of serious damage to the eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(cc1Cl)C#N
(2)Std. InChI: InChI=1S/C6H3ClN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
(3)Std. InChIKey: DYEZRXLVZMZHQT-UHFFFAOYSA-N