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| CAS No.: | 81831-68-7 |
|---|---|
| Name: | 2-(Chloromethyl)-5-methylpyrazine |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C6H7ClN2 |
| Molecular Weight: | 142.588 |
| Synonyms: | 2-(CHLOROMETHYL)-5-METHYLPYRAZINE;Pyrazine, 2-(chloroMethyl)-5-Methyl- |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 212.8 °C at 760 mmHg |
| Flash Point: | 102.535 °C |
| PSA: | 25.78000 |
| LogP: | 1.52380 |
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- Total:22 Page 1 of 1 1
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Specification
This chemical is called 2-(Chloromethyl)-5-methylpyrazine. With the molecular formula of C6H7ClN2, its molecular weight is 142.5862. The CAS registry number of this chemical is 81831-68-7.
Other characteristics of the 2-(Chloromethyl)-5-methylpyrazine can be summarised as followings: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 37.026 cm3; (15)Molar Volume: 119.851 cm3; (16)Polarizability: 14.678×10-24cm3; (17)Surface Tension: 43.88 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 102.535 °C; (20)Enthalpy of Vaporization: 43.08 kJ/mol; (21)Boiling Point: 212.8 °C at 760 mmHg; (22)Vapour Pressure: 0.247 mmHg at 25°C.
Production method of 2-(Chloromethyl)-5-methylpyrazine: It could be obtained by the reactant of 2,5-dimethyl-pyrazine. This reaction needs the reagents of NCS, benzoyl peroxide, and the solvent of CCl4. The yield is 80 %. The other condition is heating.
-5-methylpyrazine.jpg)
Uses of 2-(Chloromethyl)-5-methylpyrazine: It could react with trimethylamine to obtain the Trimethyl[(5-methyl-2-pyrazinyl)methyl]ammonium chloride. This reaction needs the solvents of ethyl acetate and nitromethane. The yield is 72 %.
![The 2-(Chloromethyl)-5-methylpyrazine could react with trimethylamine to obtain the Trimethyl[(5-methyl-2-pyrazinyl)methyl]ammonium chloride](/UserFilesUpload/uses of 2-(Chloromethyl)-5-methylpyrazine.jpg)
You can still convert the following datas into molecular structure:
1.SMILES: Cc1cnc(CCl)cn1
2.InChI: InChI=1/C6H7ClN2/c1-5-3-9-6(2-7)4-8-5/h3-4H,2H2,1H3
3.InChIKey: DDGKEWIOOGLGAK-UHFFFAOYAC