3-Iodo-6-nitroindazole supplier

Name
3-Iodo-6-nitroindazole
EINECS
CAS No. 70315-70-7
Article Data21
CAS DataBase
Density 2.24 g/cm³
Solubility
Melting Point 259-261 °C
Formula C₇H₄IN₃O₂
Boiling Point 458.027 °C at 760 mmHg
Molecular Weight 289.032
Flash Point 230.807 °C
Transport Information
Appearance
Safety 53-22-36/37/39-45
Risk Codes 22-60
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Iodo-6-nitro-1H-indazole;3-Iodo-6-nitroindazole;
PSA 74.50000
LogP 2.59890

3-Iodo-6-nitroindazole Specification

The cas register number of 3-Iodo-6-nitroindazole is 70315-70-7. It also can be called as 3-Iodo-6-nitro-1H-indazole and the Systematic name about this chemical is 3-iodo-6-nitro-1H-indazole.

Physical properties about 3-Iodo-6-nitroindazole are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 132; (5)ACD/BCF (pH 7.4): 129; (6)ACD/KOC (pH 5.5): 1145; (7)ACD/KOC (pH 7.4): 1124; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.5Å²; (12)Index of Refraction: 1.818; (13)Molar Refractivity: 56.072 cm³; (14)Molar Volume: 129.01 cm³; (15)Polarizability: 22.229x10^-24cm³; (16)Surface Tension: 88.731 dyne/cm; (17)Enthalpy of Vaporization: 69.071 kJ/mol; (18)Boiling Point: 458.027 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c(c1)nnc2I
(2)InChI: InChI=1/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
(3)InChIKey: GZCGNGLOCQEDMT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
(5)Std. InChIKey: GZCGNGLOCQEDMT-UHFFFAOYSA-N

Product Name

3-Iodo-6-nitroindazole

3-Iodo-6-nitroindazole Specification

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