1H-Pyrazole,1-(4-iodophenyl)- supplier

Name
1-(4-IODOPHENYL)-1H-PYRAZOLE
EINECS
CAS No. 368869-86-7
Density 1.75 g/cm³
Solubility
Melting Point 88℃
Formula C₉H₇IN₂
Boiling Point 304.3 °C at 760 mmHg
Molecular Weight 270.072
Flash Point 137.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Iodophenyl)-1H-pyrazole;
PSA 17.82000
LogP 2.47690

1H-Pyrazole,1-(4-iodophenyl)- Specification

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

Product Name

1-(4-IODOPHENYL)-1H-PYRAZOLE

1H-Pyrazole,1-(4-iodophenyl)- Specification

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