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| CAS No.: | 84547-64-8 |
|---|---|
| Name: | 3-(Chloromethyl)-1-methyl-1H-pyrazole |
| Article Data: | 6 |
| Molecular Structure: | |
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|
|
| Formula: | C5H7ClN2 |
| Molecular Weight: | 130.577 |
| Synonyms: | 3-Chloromethyl-1-methyl-1H-pyrazole;3-Chloromethyl-1-methylpyrazole; |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 215.2 °C at 760 mmHg |
| Flash Point: | 84 °C |
| Hazard Symbols: |
 C
|
| PSA: | 17.82000 |
| LogP: | 1.15890 |
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- Total:25 Page 1 of 1 1
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Specification
The 1H-Pyrazole,3-(chloromethyl)-1-methyl- has CAS registry number 84547-64-8. This chemical's molecular formula is C5H7ClN2 and molecular weight is 130.58. What's more, its systematic name is 3-(chloromethyl)-1-methyl-1H-pyrazole. When you are using this chemical, please be cautious about it. It may destroy living tissue on contact.
Physical properties of 1H-Pyrazole,3-(chloromethyl)-1-methyl- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 34.46 cm3; (9)Molar Volume: 108 cm3; (10)Polarizability: 13.66×10-24cm3; (11)Surface Tension: 37.6 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 84 °C; (14)Enthalpy of Vaporization: 43.32 kJ/mol; (15)Boiling Point: 215.2 °C at 760 mmHg; (16)Vapour Pressure: 0.219 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nn(cc1)C
(2)Std. InChI: InChI=1S/C5H7ClN2/c1-8-3-2-5(4-6)7-8/h2-3H,4H2,1H3
(3)Std. InChIKey: DHOBZYGMEYEAEM-UHFFFAOYSA-N