CAS No.49633-25-2,3-(1-methylethyl)-pyrazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	49633-25-2
Name:	3-(1-methylethyl)-pyrazole
Article Data:	1

Formula:	C₆H₁₀N₂
Molecular Weight:	110.159
Synonyms:	3-Isopropyl-1H-pyrazole;1H-Pyrazole,3-(1-methylethyl)-;Pyrazole,3(or 5)-isopropyl- (7CI);3-(1-Methylethyl)-pyrazole;5-Isopropyl-1H-Pyrazole;
Density:	0.992 g/cm³
Boiling Point:	204.322 °C at 760 mmHg
Flash Point:	82.523 °C
PSA:	28.68000
LogP:	1.53310

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Specification

The 3-Isopropylpyrazole, with the CAS registry number 49633-25-2, is also known as 3-(1-Methylethyl)-pyrazole. It belongs to the product category of Heterocyclic/Aliphatic series. This chemical's molecular formula is C₆H₁₀N₂ and molecular weight is 110.16. What's more, its systematic name is 5-(propan-2-yl)-1H-pyrazole.

Physical properties of 3-Isopropylpyrazole are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 11; (5)ACD/KOC (pH 5.5): 188; (6)ACD/KOC (pH 7.4): 190; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 28.68 Å²; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 32.962 cm³; (13)Molar Volume: 111.052 cm³; (14)Surface Tension: 38.192 dyne/cm; (15)Density: 0.992 g/cm³; (16)Flash Point: 82.523 °C; (17)Enthalpy of Vaporization: 42.256 kJ/mol; (18)Boiling Point: 204.322 °C at 760 mmHg; (19)Vapour Pressure: 0.379 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1ccnn1
(2)InChI: InChI=1S/C6H10N2/c1-5(2)6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
(3)InChIKey: ZICRALLMHKILDG-UHFFFAOYSA-N