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CAS No.: | 28900-10-9 |
---|---|
Name: | 2-Chloro-6-methyl-3-pyridinecarbonitrile |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H5ClN2 |
Molecular Weight: | 152.583 |
Synonyms: | 2-Chloro-3-cyano-6-methylpyridine; |
EINECS: | -0 |
Density: | 1.26 g/cm3 |
Melting Point: | 114-116 °C |
Boiling Point: | 278.2 °C at 760 mmHg |
Flash Point: | 122 °C |
Appearance: | light yellow to brown cryst. flakes or needles |
Hazard Symbols: | Xn, T |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-37/39-36/37/39-22 |
Transport Information: | UN 3276 |
PSA: | 36.68000 |
LogP: | 1.91508 |
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The CAS register number of 2-Chloro-6-methyl-3-pyridinecarbonitrile is 28900-10-9. It also can be called as 3-Pyridinecarbonitrile, 2-chloro-6-methyl- and the systematic name about this chemical is 2-chloro-6-methylpyridine-3-carbonitrile.
Physical properties about 2-Chloro-6-methyl-3-pyridinecarbonitrile are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.69; (6)ACD/BCF (pH 7.4): 9.69; (7)ACD/KOC (pH 5.5): 176.89; (8)ACD/KOC (pH 7.4): 176.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 38.56 cm3; (15)Molar Volume: 120.2 cm3; (16)Surface Tension: 52.7 dyne/cm; (17)Density: 1.26 g/cm3; (18)Flash Point: 122 °C; (19)Enthalpy of Vaporization: 51.68 kJ/mol; (20)Boiling Point: 278.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00434 mmHg at 25°C.
Uses of 2-Chloro-6-methyl-3-pyridinecarbonitrile: It reacts with 4-methoxy-aniline radical to get 2-(4-methoxy-phenylamino)-6-methyl-nicotinonitrile. This reaction needs temperature of 180 °C. The yield is 65 %.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing, gloves and eye/face protection. People do not breathe dust.
People can use the following data to convert to the molecule structure.
1.SMILES: N#Cc1ccc(nc1Cl)C
2.InChI: InChI=1/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3
3.InChIKey: YSBNBAYNISAUIT-UHFFFAOYAC
4.Std. InChI: InChI=1S/C7H5ClN2/c1-5-2-3-6(4-9)7(8)10-5/h2-3H,1H3