Basic Information | Post buying leads | Suppliers |
Name |
1H-Pyrazole,5-(chloromethyl)-1,3-dimethyl- |
EINECS | N/A |
CAS No. | 852227-86-2 | Density | 1.17 g/cm3 |
PSA | 17.82000 | LogP | 1.46730 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9ClN2 | Boiling Point | 225.8 °C at 760 mmHg |
Molecular Weight | 144.604 | Flash Point | 90.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-26-36/37/39-45 | Risk Codes | 22-34 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-(Chloromethyl)-1,3-dimethylpyrazole; |
The 1H-Pyrazole,5-(chloromethyl)-1,3-dimethyl- has CAS registry number 852227-86-2. It belongs to the product categories of Building Blocks; Pyrazole. This chemical's molecular formula is C6H9ClN2 and molecular weight is 144.60. What's more, its IUPAC name is 5-(chloromethyl)-1,3-dimethylpyrazole.
Physical properties of 1H-Pyrazole,5-(chloromethyl)-1,3-dimethyl- are: (1)ACD/LogP: 0.90; (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: 1.542; (8)Molar Refractivity: 38.88 cm3; (9)Molar Volume: 123.4 cm3; (10)Polarizability: 15.41×10-24cm3; (11)Surface Tension: 34.3 dyne/cm; (12)Density: 1.17 g/cm3; (13)Flash Point: 90.4 °C; (14)Enthalpy of Vaporization: 44.36 kJ/mol; (15)Boiling Point: 225.8 °C at 760 mmHg; (16)Vapour Pressure: 0.127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(nn1C)C
(2)Std. InChI: InChI=1S/C6H9ClN2/c1-5-3-6(4-7)9(2)8-5/h3H,4H2,1-2H3
(3)Std. InChIKey: SGEZKPNUNBVVLB-UHFFFAOYSA-N