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7-Nitroindazole

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Name

7-Nitroindazole

EINECS 220-934-4
CAS No. 2942-42-9 Density 1.525 g/cm3
Solubility slightly soluble in water Melting Point 185-186 °C
Formula C7H5N3O2 Boiling Point 383.3 °C at 760 mmHg
Molecular Weight 163.15 Flash Point 185.6 °C
Transport Information UN 2811 6.1/PG 3 Appearance Orange-Yellow Solid
Safety 53-22-36/37/39-45 Risk Codes 60-40
Molecular Structure Molecular Structure of 2942-42-9 (1H-Indazole, 7-nitro-) Hazard Symbols ToxicT
Synonyms

7-Nitro-1H-indazole;BRN 0006809;NSC 72843;Indazole, 7-nitro-;

 

7-Nitroindazole Consensus Reports

EPA Genetic Toxicology Program.

7-Nitroindazole Specification

The 1H-Indazole, 7-nitro-, with the CAS registry number 2942-42-9, is also known as Indazole, 7-nitro-. It belongs to the product categories of Indoles and Derivatives; Heterocyclic Compounds; All Inhibitors; Indazoles; Inhibitors; Nitric Oxide Reagents; Nitric Oxide; Signalling. Its EINECS number is 220-934-4. This chemical's molecular formula is C7H5N3O2 and molecular weight is 163.13. What's more, its systematic name is 7-nitro-1H-indazole. Its classification codes are: (1)Analgesics; (2)Anti-anxiety agents; (3)Anticonvulsants; (4)Central Nervous System Agents; (5)Central Nervous System Depressants; (6)Enzyme inhibitors; (7)Mutation data; (8)Neuroprotective agents; (9)Peripheral Nervous System Agents; (10)Protective Agents; (11)Psychotropic Drugs; (12)Sensory System Agents; (13)Tranquilizing Agents. It should be sealed and stored in a cool and dry place. It acts as a selective inhibitor for neuronal nitric oxide synthase, and exhibits anti-nociceptive activity without increasing blood pressure. 

Physical properties of 1H-Indazole, 7-nitro- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.47; (6)ACD/BCF (pH 7.4): 7.46; (7)ACD/KOC (pH 5.5): 146.85; (8)ACD/KOC (pH 7.4): 146.52; (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: 1.74; (14)Molar Refractivity: 43.16 cm3; (15)Molar Volume: 106.9 cm3; (16)Polarizability: 17.11×10-24cm3; (17)Surface Tension: 80.5 dyne/cm; (18)Density: 1.525 g/cm3; (19)Flash Point: 185.6 °C; (20)Enthalpy of Vaporization: 60.71 kJ/mol; (21)Boiling Point: 383.3 °C at 760 mmHg; (22)Vapour Pressure: 9.79E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-6-nitro-aniline. This reaction will need reagents NaNO2, Ac2O and solvent H2O with the reaction time of 4 hours. The yield is about 83%.

1H-Indazole, 7-nitro- can be prepared by 2-methyl-6-nitro-aniline

Uses of 1H-Indazole, 7-nitro-: it can be used to produce 4-benzenesulfonylmethyl-7-nitro-1H-indazole at the ambient temperature. It will need reagent NaOH and solvent dimethylsulfoxide with the reaction time of 30 min. The yield is about 59%.

1H-Indazole, 7-nitro- can be used to produce 4-benzenesulfonylmethyl-7-nitro-1H-indazole at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
This chemical may impair fertility. It has a limited evidence of a carcinogenic effect. You should not breathe dust. It should be avoided exposure that you need obtain special instructions before use. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
(2)InChIKey: PQCAUHUKTBHUSA-UHFFFAOYSA-N
(3)Canonical SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2

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