White Crystal Peptides Steroids 3-Iodo-1H-Pyrazole CAS 4522-35-4 C3H3IN2

The 5-Iodo-1H-pyrazole, with the CAS registry number 4522-35-4, is also known as 1H-Pyrazole, 3-iodo-. This chemical's molecular formula is C₃H₃IN₂ and molecular weight is 193.971. Its IUPAC name is called 5-iodo-1H-pyrazole.

Physical properties of 5-Iodo-1H-pyrazole: (1) ACD/LogP: 1.35; (2) ACD/LogD (pH 5.5): 1.35; (3) ACD/LogD (pH 7.4): 1.35; (4) ACD/BCF (pH 5.5): 6.24; (5) ACD/BCF (pH 7.4): 6.24; (6) ACD/KOC (pH 5.5): 129.07; (7) ACD/KOC (pH 7.4): 129.05; (8) #H bond acceptors: 2; (9) #H bond donors: 1; (10) Index of Refraction: 1.688; (11) Molar Refractivity: 31.68 cm³; (12) Molar Volume: 83 cm³; (13) Surface Tension: 65.9 dyne/cm; (14) Density: 2.335 g/cm³; (15) Flash Point: 130.3 °C; (16) Enthalpy of Vaporization: 51.01 kJ/mol; (17) Boiling Point: 291.9 °C at 760 mmHg; (18) Vapour Pressure: 0.00331 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) Canonical SMILES: C1=C(NN=C1)I
(2) InChI: InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
(3) InChIKey: RUKDVLFJSMVBLV-UHFFFAOYSA-N