1-Butylpyrazole supplier | CasNO.52096-24-9

Name
1-Butyl-1H-pyrazole
EINECS
CAS No. 52096-24-9
Article Data12
CAS DataBase
Density 0.94 g/cm³
Solubility
Melting Point
Formula C₇H₁₂N₂
Boiling Point 184.2 °C at 760 mmHg
Molecular Weight 124.186
Flash Point 65.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms n-Butylpyrazole;1H-pyrazole, 1-butyl-;1-Butyl-1H-pyrazole;
PSA 17.82000
LogP 1.68320

1-Butylpyrazole Specification

The CAS register number of 1-Butylpyrazole is 52096-24-9. It also can be called as 1H-pyrazole, 1-butyl- and the systematic name about this chemical is 1-butyl-1H-pyrazole. The molecular formula about this chemical is C₇H₁₂N₂ and the molecular weight is 124.1836.

Physical properties about 1-Butylpyrazole are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.83; (5)ACD/BCF (pH 7.4): 12.84; (6)ACD/KOC (pH 5.5): 216.13; (7)ACD/KOC (pH 7.4): 216.32; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.82 Å²; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 39.07 cm³; (13)Molar Volume: 131 cm³; (14)Polarizability: 15.49x10^-24cm³; (15)Surface Tension: 33.8 dyne/cm; (16)Density: 0.94 g/cm³; (17)Flash Point: 65.2 °C; (18)Enthalpy of Vaporization: 40.32 kJ/mol; (19)Boiling Point: 184.2 °C at 760 mmHg; (20)Vapour Pressure: 1.02 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1CCCC
(2)InChI: InChI=1/C7H12N2/c1-2-3-6-9-7-4-5-8-9/h4-5,7H,2-3,6H2,1H3
(3)InChIKey: FMPJPCHSXGNEMD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H12N2/c1-2-3-6-9-7-4-5-8-9/h4-5,7H,2-3,6H2,1H3
(5)Std. InChIKey: FMPJPCHSXGNEMD-UHFFFAOYSA-N

Product Name

1-Butyl-1H-pyrazole

1-Butylpyrazole Specification

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