1H-Pyrazole, 4-hexyl- supplier

Name
1H-Pyrazole, 4-hexyl-
EINECS
CAS No. 73123-47-4
Density 0.952g/cm³
Solubility
Melting Point
Formula C₉H₁₆N₂
Boiling Point 270.7 °C at 760 mmHg
Molecular Weight 152.239
Flash Point 113.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole,4-hexyl;4-Hexylpyrazol;
PSA 28.68000
LogP 2.53250

1H-Pyrazole, 4-hexyl- Specification

The 1H-Pyrazole, 4-hexyl-, with CAS registry number 73123-47-4, has the systematic name of 4-hexyl-1H-pyrazole. Its molecular weight is 152.24. And the chemical formula of this chemical is C₉H₁₆N₂.

Physical properties of 1H-Pyrazole, 4-hexyl-: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 236.48; (6)ACD/BCF (pH 7.4): 239.79; (7)ACD/KOC (pH 5.5): 1733.89; (8)ACD/KOC (pH 7.4): 1758.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 46.85 cm³; (15)Molar Volume: 159.8 cm³; (16)Polarizability: 18.57×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 0.952 g/cm³; (19)Flash Point: 113.4 °C; (20)Enthalpy of Vaporization: 48.84 kJ/mol; (21)Boiling Point: 270.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0112 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCc1c[nH]nc1
(2)InChI: InChI=1/C9H16N2/c1-2-3-4-5-6-9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11)
(3)InChIKey: RRESKZSKNBZJEF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H16N2/c1-2-3-4-5-6-9-7-10-11-8-9/h7-8H,2-6H2,1H3,(H,10,11)
(5)Std. InChIKey: RRESKZSKNBZJEF-UHFFFAOYSA-N

Product Name

1H-Pyrazole, 4-hexyl-

1H-Pyrazole, 4-hexyl- Specification

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