Name: 3-BROMO-7-NITROINDAZOLE
SKU: 74209-34-0

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Basic Information

Molecular Structure:
CAS No.:	74209-34-0
Name:	3-BROMO-7-NITROINDAZOLE
Article Data:	4

Formula:	C₇H₄BrN₃O₂
Molecular Weight:	242.032
Synonyms:	3-Bromo-7-nitro-1H-indazole;3-Bromo-7-nitroindazole;
Density:	1.965 g/cm³
Melting Point:	175-185 °C
Boiling Point:	248.9 °C at 760 mmHg
Flash Point:	104.3 °C
Solubility:	ethanol: 25 mg/mL
Appearance:	yellow crystals
Hazard Symbols:	T
Risk Codes:	60
Safety:	53-22-36/37/39-45
PSA:	74.50000
LogP:	2.75680

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Specification

This chemical is called 1H-Indazole,3-bromo-7-nitro-, and its systematic name is 3-Bromo-7-nitro-2H-indazole. With the molecular formula of C₇H₄BrN₃O₂, its molecular weight is 242.03. The CAS registry number of this chemical is 74209-34-0. Additionally, its product categories are Indoles and derivatives; All Inhibitors; Nitric Oxide Reagents; Nitric Oxide Synthase (iNOS)Enzyme Inhibitors by Enzyme; Nitric Oxide and Cell Stress; Enzyme Inhibitors by Enzyme; L to; Nitric Oxide Metabolism; NOS Inhibitors. This chemical should be stored at the temperature of 2-8 °C.

Other characteristics of the 1H-Indazole,3-bromo-7-nitro- can be summarised as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.19; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 27.22; (6)ACD/BCF (pH 7.4): 26.28; (7)ACD/KOC (pH 5.5): 370.43; (8)ACD/KOC (pH 7.4): 357.64; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.64 Å²; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 50.85 cm³; (15)Molar Volume: 123.1 cm³; (16)Polarizability: 20.16×10^-24cm³; (17)Surface Tension: 82.2 dyne/cm; (18)Density: 1.965 g/cm³; (19)Flash Point: 104.3 °C; (20)Enthalpy of Vaporization: 48.61 kJ/mol; (21)Boiling Point: 248.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0236 mmHg at 25°C.

Production method of this chemical: The 1H-Indazole,3-bromo-7-nitro- could be obtained by the reactant of 7-nitro-1(2)H-indazole and. This reaction needs the reagent of Br₂, and the solvent of acetic acid. The yield is 85 %. In addition, this reaction should be taken for 5 hours.

Uses of this chemical: The 3-bromo-1H-indazol-7-ylamine could be obtained by the reactant of 1H-Indazole,3-bromo-7-nitro-. This reaction needs the reagent of H₂, the solvent of ethanol, and the catalyst of palladium on carbon. The yield is 93 %. This reaction should be taken at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical may impair fertility. Do not breathe dust. Avoid exposure - obtain special instructions before use. Additionally, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2cccc1c2nnc1Br
2.InChI: InChI=1/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
3.InChIKey: NFSTZPMYAZRZPC-UHFFFAOYAY