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CAS No.: | 70315-68-3 |
---|---|
Name: | 3-BROMO-6-NITROINDAZOLE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C7H4BrN3O2 |
Molecular Weight: | 242.032 |
Synonyms: | 3-Bromo-6-nitro-1H-indazole;3-Bromo-6-nitro indazole; |
EINECS: | 200-589-5 |
Density: | 1.965 g/cm3 |
Melting Point: | 235-236 °C |
Boiling Point: | 257 °C at 760 mmHg |
Flash Point: | 109.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 74.50000 |
LogP: | 2.75680 |
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The CAS register number of 1H-Indazole,3-bromo-6-nitro- is 70315-68-3. It also can be called as 3-Bromo-6-nitro indazole and the systematic name about this chemical is 3-bromo-6-nitro-2H-indazole. The molecular formula about this chemical is C7H4BrN3O2 and the molecular weight is 242.03. It belongs to the following product categories which include Pharmacetical; Halides; Fused Ring Systems and so on.
Physical properties about 1H-Indazole,3-bromo-6-nitro- are: (1)ACD/LogP: 2.19; (2)ACD/LogD (pH 5.5): 2.19; (3)ACD/LogD (pH 7.4): 2.19; (4)ACD/BCF (pH 5.5): 27.24; (5)ACD/BCF (pH 7.4): 27.14; (6)ACD/KOC (pH 5.5): 370.58; (7)ACD/KOC (pH 7.4): 369.25; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.64Å2; (12)Index of Refraction: 1.763; (13)Molar Refractivity: 50.85 cm3; (14)Molar Volume: 123.1 cm3; (15)Polarizability: 20.16x10-24cm3; (16)Surface Tension: 82.2 dyne/cm; (17)Enthalpy of Vaporization: 49.46 kJ/mol; (18)Boiling Point: 257 °C at 760 mmHg; (19)Vapour Pressure: 0.0149 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1c(nnc1Br)c2
(2)InChI: InChI=1/C7H4BrN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
(3)InChIKey: JUKJZBGTZKOXPG-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C7H4BrN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)
(5)Std. InChIKey: JUKJZBGTZKOXPG-UHFFFAOYSA-N