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| CAS No.: | 156361-02-3 |
|---|---|
| Name: | 6-AMINO-5-CHLORO-NICOTINONITRILE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H4ClN3 |
| Molecular Weight: | 153.571 |
| Synonyms: | 6-Amino-5-chloronicotinonitrile; |
| Density: | 1.42 g/cm3 |
| Melting Point: | 185-188 °C |
| Boiling Point: | 273.9 °C at 760 mmHg |
| Flash Point: | 119.4 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 62.70000 |
| LogP: | 1.77008 |
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- Total:32 Page 1 of 1 1
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Specification
The 3-Pyridinecarbonitrile,6-amino-5-chloro-, with the CAS registry number 156361-02-3, is also known as 6-Amino-5-chloronicotinonitrile. This chemical's molecular formula is C6H4ClN3 and molecular weight is 153.5691. Its systematic name is called 6-amino-5-chloropyridine-3-carbonitrile.
Physical properties of 3-Pyridinecarbonitrile,6-amino-5-chloro-: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.42; (3)ACD/LogD (pH 7.4): 2.42; (4)ACD/BCF (pH 5.5): 40.35; (5)ACD/BCF (pH 7.4): 40.35; (6)ACD/KOC (pH 5.5): 491.01; (7)ACD/KOC (pH 7.4): 491.01; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Index of Refraction: 1.615; (11)Molar Refractivity: 37.56 cm3; (12)Molar Volume: 107.5 cm3; (13)Surface Tension: 72.2 dyne/cm; (14)Density: 1.42 g/cm3; (15)Flash Point: 119.4 °C; (16)Enthalpy of Vaporization: 51.22 kJ/mol; (17)Boiling Point: 273.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00559 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(C#N)cnc1N
(2)InChI: InChI=1/C6H4ClN3/c7-5-1-4(2-8)3-10-6(5)9/h1,3H,(H2,9,10)
(3)InChIKey: XDDIMILABMXHFG-UHFFFAOYAV