3-Bromo-5-nitro-1H-indazole supplier

Name
5-NITRO-3-BROMOINDAZOLE
EINECS
CAS No. 67400-25-3
Article Data1
CAS DataBase
Density 1.965 g/cm³
Solubility
Melting Point 227-229 ºC
Formula C₇H₄BrN₃O₂
Boiling Point 257 °C at 760 mmHg
Molecular Weight 242.032
Flash Point 109.2 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Bromo-5-nitro-1H-indazole;3-Bromo-5-nitroindazole;5-Nitro-3-bromoindazole;
PSA 74.50000
LogP 2.75680

3-Bromo-5-nitro-1H-indazole Specification

The 1H-Indazole,3-bromo-5-nitro-, with the CAS registry number 67400-25-3, is also known as 5-Nitro-3-bromoindazole. This chemical's molecular formula is C₇H₄BrN₃O₂ and formula weight is 242.03. What's more, its systematic name is 3-bromo-5-nitro-2H-indazole.

Physical properties of 1H-Indazole,3-bromo-5-nitro- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/BCF (pH 5.5): 27.23; (5)ACD/BCF (pH 7.4): 27.04; (6)ACD/KOC (pH 5.5): 370.56; (7)ACD/KOC (pH 7.4): 367.89; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 63.64 Å²; (12)Index of Refraction: 1.763; (13)Molar Refractivity: 50.85 cm³; (14)Molar Volume: 123.1 cm³; (15)Surface Tension: 82.2 dyne/cm; (16)Density: 1.965 g/cm³; (17)Flash Point: 109.2 °C; (18)Enthalpy of Vaporization: 49.46 kJ/mol; (19)Boiling Point: 257 °C at 760 mmHg; (20)Vapour Pressure: 0.0149 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1c(nnc1Br)cc2
(2)InChI: InChI=1S/C7H4BrN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)
(3)InChIKey: SYTGRKBQTUKOAI-UHFFFAOYSA-N

Product Name

5-NITRO-3-BROMOINDAZOLE

3-Bromo-5-nitro-1H-indazole Specification

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