CAS No.319472-78-1,3,6-DIIODO (1H)INDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	319472-78-1
Name:	3,6-DIIODO (1H)INDAZOLE
Article Data:	3

Formula:	C₇H₄I₂N₂
Molecular Weight:	369.931
Synonyms:	3,6-diiodo-1H-indazole;3,6-Diiodo(1H)indazole;
Density:	2.657 g/cm³
Boiling Point:	434.583 °C at 760 mmHg
Flash Point:	216.629 °C
PSA:	28.68000
LogP:	2.77210

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Specification

The 1H-Indazole,3,6-diiodo-, with the CAS registry number 319472-78-1, has the systematic name of 3,6-diiodo-1H-indazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₄I₂N₂.

The characteristics of 1H-Indazole,3,6-diiodo- are as followings: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 527; (6)ACD/BCF (pH 7.4): 526; (7)ACD/KOC (pH 5.5): 3087; (8)ACD/KOC (pH 7.4): 3087; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.854; (14)Molar Refractivity: 62.433 cm³; (15)Molar Volume: 139.241 cm³; (16)Polarizability: 24.751×10^-24cm³; (17)Surface Tension: 79.731 dyne/cm; (18)Density: 2.657 g/cm³; (19)Flash Point: 216.629 °C; (20)Enthalpy of Vaporization: 66.406 kJ/mol; (21)Boiling Point: 434.583 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Ic1ccc2c(c1)nnc2I
(2)InChI: InChI=1/C7H4I2N2/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H,10,11)
(3)InChIKey: XHVJIWVECAQYNF-UHFFFAOYAI