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CAS No.: | 368869-86-7 |
---|---|
Name: | 1-(4-IODOPHENYL)-1H-PYRAZOLE |
Molecular Structure: | |
Formula: | C9H7IN2 |
Molecular Weight: | 270.072 |
Synonyms: | 1-(4-Iodophenyl)-1H-pyrazole; |
Density: | 1.75 g/cm3 |
Melting Point: | 88℃ |
Boiling Point: | 304.3 °C at 760 mmHg |
Flash Point: | 137.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 17.82000 |
LogP: | 2.47690 |
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The 1H-Pyrazole,1-(4-iodophenyl)- is an organic compound with the formula C9H7IN2. The systematic name of this chemical is 1-(4-iodophenyl)-1H-pyrazole. With the CAS registry number 368869-86-7, it is also named as (4-iodophenyl)pyrazole.
Physical properties about 1H-Pyrazole,1-(4-iodophenyl)- are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.15; (4)ACD/BCF (pH 5.5): 145.18; (5)ACD/BCF (pH 7.4): 145.19; (6)ACD/KOC (pH 5.5): 1227.75; (7)ACD/KOC (pH 7.4): 1227.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.82 Å2; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 58.58 cm3; (13)Molar Volume: 153.4 cm3; (14)Polarizability: 23.22×10-24cm3; (15)Surface Tension: 50.3 dyne/cm; (16)Density: 1.75 g/cm3; (17)Flash Point: 137.8 °C; (18)Enthalpy of Vaporization: 52.29 kJ/mol; (19)Boiling Point: 304.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)n2nccc2
(2)InChI: InChI=1/C9H7IN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
(3)InChIKey: ADIQBEMLKKKISJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H7IN2/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H
(5)Std. InChIKey: ADIQBEMLKKKISJ-UHFFFAOYSA-N