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1H-Pyrazole,3-cyclopropyl-

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Name

1H-Pyrazole,3-cyclopropyl-

EINECS
CAS No. 100114-57-6 Density 1.215 g/cm3
Solubility Melting Point
Formula C6H8N2 Boiling Point 264.5 °C at 760 mmHg
Molecular Weight 108.14 Flash Point 126.9 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 100114-57-6 (1H-Pyrazole,3-cyclopropyl-) Hazard Symbols
Synonyms

Pyrazole,3-cyclopropyl- (6CI);3-Cyclopropylpyrazole;

 

1H-Pyrazole,3-cyclopropyl- Specification

The 1H-Pyrazole,3-cyclopropyl-, with the CAS registry number 100114-57-6, is also known as 3-Cyclopropyl-1H-pyrazole. This chemical's molecular formula is C6H8N2 and molecular weight is 108.14112. Its IUPAC name is called 5-cyclopropyl-1H-pyrazole.

Physical properties of 1H-Pyrazole,3-cyclopropyl-: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.36; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.4; (5)ACD/BCF (pH 7.4): 6.46; (6)ACD/KOC (pH 5.5): 131.06; (7)ACD/KOC (pH 7.4): 132.33; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.608; (12)Molar Refractivity: 30.8 cm3; (13)Molar Volume: 88.9 cm3; (14)Surface Tension: 59.6 dyne/cm; (15)Density: 1.215 g/cm3; (16)Flash Point: 126.9 °C; (17)Enthalpy of Vaporization: 48.21 kJ/mol; (18)Boiling Point: 264.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0158 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC1C2=CC=NN2
(2)InChI: InChI=1S/C6H8N2/c1-2-5(1)6-3-4-7-8-6/h3-5H,1-2H2,(H,7,8)
(3)InChIKey: TXWDVWSJMDFNQY-UHFFFAOYSA-N

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