1H-Indazole,3-bromo-6-nitro- supplier

Name
3-BROMO-6-NITROINDAZOLE
EINECS 200-589-5
CAS No. 70315-68-3
Article Data1
CAS DataBase
Density 1.965 g/cm³
Solubility
Melting Point 235-236 °C
Formula C₇H₄BrN₃O₂
Boiling Point 257 °C at 760 mmHg
Molecular Weight 242.032
Flash Point 109.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Bromo-6-nitro-1H-indazole;3-Bromo-6-nitro indazole;
PSA 74.50000
LogP 2.75680

1H-Indazole,3-bromo-6-nitro- Specification

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

Product Name

3-BROMO-6-NITROINDAZOLE

1H-Indazole,3-bromo-6-nitro- Specification

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