CAS No.852227-86-2,5-(CHLOROMETHYL)-1,3-DIMETHYL-1H-PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	852227-86-2
Name:	5-(CHLOROMETHYL)-1,3-DIMETHYL-1H-PYRAZOLE

Formula:	C₆H₉ClN₂
Molecular Weight:	144.604
Synonyms:	5-(Chloromethyl)-1,3-dimethylpyrazole;
Density:	1.17 g/cm³
Boiling Point:	225.8 °C at 760 mmHg
Flash Point:	90.4 °C
Hazard Symbols:	Xn
Risk Codes:	22-34
Safety:	22-26-36/37/39-45
PSA:	17.82000
LogP:	1.46730

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Specification

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