3-Iodoindazole supplier | CasNO.66607-27-0

Name
3-Iodoindazole
EINECS 1312995-182-4
CAS No. 66607-27-0
Article Data1
CAS DataBase
Density 2.083 g/cm³
Solubility
Melting Point 142 °C(Solv: water (7732-18-5))
Formula C₇H₅IN₂
Boiling Point 206.934 °C at 760 mmHg
Molecular Weight 244.035
Flash Point 78.951 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Iodo-1H-indazole;3-Iodoindazole;
PSA 28.68000
LogP 2.16750

3-Iodoindazole Specification

The 3-Iodoindazole, with cas registry number 66607-27-0, belongs to the following product categories: pharmacetical. Its systematic name and its IUPAC name are the same, which is 3-iodo-2H-indazole. Besides this, it is also called 1H-indazole, 3-iodo-.

Physical properties about this chemical are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 69; (6)ACD/BCF (pH 7.4): 69; (7)ACD/KOC (pH 5.5): 720; (8)ACD/KOC (pH 7.4): 720; (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: 1.788; (14)Molar Refractivity: 49.527 cm³; (15)Molar Volume: 117.168 cm³; (16)Polarizability: 19.634×10^-24cm³; (17)Surface Tension: 71.296 dyne/cm; (18)Enthalpy of Vaporization: 44.318 kJ/mol; (19)Vapour Pressure: 0.231 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c2ccccc2nn1
(2)InChI: InChI=1/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
(3)InChIKey: UDKYMMQGPNFWDA-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)
(5)Std. InChIKey: UDKYMMQGPNFWDA-UHFFFAOYSA-N

Product Name

3-Iodoindazole

3-Iodoindazole Specification

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