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| CAS No.: | 209858-74-2 |
|---|---|
| Name: | 6-Chloro-4-methylpicolinonitrile |
| Molecular Structure: | |
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| Formula: | C7H5ClN2 |
| Molecular Weight: | 152.583 |
| Synonyms: | 6-chloro-4-methylpyridine-2-carbonitrile; |
| Density: | 1.26 g/cm3 |
| Boiling Point: | 283.6 °C at 760 mmHg |
| Flash Point: | 125.3 °C |
| PSA: | 36.68000 |
| LogP: | 1.91508 |
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Specification
This chemical is called 2-Pyridinecarbonitrile,6-chloro-4-methyl-, and its systematic name is 6-chloro-4-methylpyridine-2-carbonitrile. With the molecular formula of C7H5ClN2, its molecular weight is 152.58. The CAS registry number of this chemical is 209858-74-2.
Other characteristics of the 2-Pyridinecarbonitrile,6-chloro-4-methyl- can be summarised as followings: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.74; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 12.43; (6)ACD/BCF (pH 7.4): 12.43; (7)ACD/KOC (pH 5.5): 211.41; (8)ACD/KOC (pH 7.4): 211.41; (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: 1.554; (14)Molar Refractivity: 38.56 cm3; (15)Molar Volume: 120.2 cm3; (16)Polarizability: 15.29×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 125.3 °C; (20)Enthalpy of Vaporization: 52.25 kJ/mol; (21)Boiling Point: 283.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00314 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cc(C#N)nc(Cl)c1
2.InChI: InChI=1/C7H5ClN2/c1-5-2-6(4-9)10-7(8)3-5/h2-3H,1H3
3.InChIKey: OFGINIKEPIBBQN-UHFFFAOYAR