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| CAS No.: | 153463-65-1 |
|---|---|
| Name: | 3,5-DICHLORO-4-PYRIDINECARBONITRILE |
| Molecular Structure: | |
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| Formula: | C6H2Cl2N2 |
| Molecular Weight: | 173.001 |
| Synonyms: | 3,5-Dichloroisonicotinonitrile;3,5-Dichloropyridine-4-carbonitrile; |
| Density: | 1.5 g/cm3 |
| Melting Point: | 115-119 °C |
| Boiling Point: | 266.217 °C at 760 mmHg |
| Flash Point: | 114.804 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41-43 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 2811 |
| PSA: | 36.68000 |
| LogP: | 2.26008 |
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Specification
The 3,5-Dichloro-4-pyridinecarbonitrile, with the CAS registry number 153463-65-1, is also known as 4-Pyridinecarbonitrile, 3,5-dichloro-. It belongs to the product categories of C6 Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C6H2Cl2N2 and molecular weight is 173.00. Its systematic name is called 3,5-dichloropyridine-4-carbonitrile.
Physical properties of 3,5-Dichloro-4-pyridinecarbonitrile: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 21; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 305; (8)ACD/KOC (pH 7.4): 305; (9)#H bond acceptors: 2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 38.774 cm3; (12)Molar Volume: 115.371 cm3; (13)Surface Tension: 61.317 dyne/cm; (14)Density: 1.5 g/cm3; (15)Flash Point: 114.804 °C; (16)Enthalpy of Vaporization: 50.418 kJ/mol; (17)Boiling Point: 266.217 °C at 760 mmHg; (18)Vapour Pressure: 0.009 mmHg at 25°C; (19)Melting Point: 115-119 °C(lit.).
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed and is irritating to respiratory system and skin. In addition, it may cause sensitisation by skin contact. 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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(Cl)cncc1Cl
(2)InChI: InChI=1/C6H2Cl2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
(3)InChIKey: MUHBRCUFWMUBNP-UHFFFAOYAE