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7-nitro-1H-indazole(CAS No. 2942-42-9)

7-nitro-1H-indazole C7H5N3O2 (cas 2942-42-9) Molecular Structure

2942-42-9 Structure

Identification and Related Records

【Name】
7-nitro-1H-indazole
【Iupac name】
7-nitro-1H-indazole
【CAS Registry number】
2942-42-9
【Synonyms】
1H-Indazole, 7-nitro-
7-nitro-1h-indazol
INDAZOLE, 7-NITRO-
7-NITROINDAZOLE
7-NI
7-NITROINDAZOLE INDAZOLE, 7-NITRO-INHIBI TOR OF BRAIN NI
NITROINDAZOLE
7-NITROINDAZOLE 97+%
【EINECS(EC#)】
220-934-4
【Molecular Formula】
C7H5N3O2 (Products with the same molecular formula)
【Molecular Weight】
163.13
【Inchi】
InChI=1/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
【InChIKey】
PQCAUHUKTBHUSA-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2
【MOL File】
2942-42-9.mol

Chemical and Physical Properties

【Appearance】
Orange-Yellow Solid
【Density】
1.525 g/cm3
【Melting Point】
190ºC
【Boiling Point】
383.3 °C at 760 mmHg
【Vapour】
9.79E-06mmHg at 25°C
【Refractive Index】
1.74
【Flash Point】
185.6 °C
【Water】
slightly soluble
【Solubilities】
slightly soluble in water
【Stability】
No data.
【Storage temp】
−20°C
【Computed Properties】
Molecular Weight:163.1335 [g/mol]
Molecular Formula:C7H5N3O2
XLogP3:1.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:163.038176
MonoIsotopic Mass:163.038176
Topological Polar Surface Area:74.5
Heavy Atom Count:12
Formal Charge:0
Complexity:192
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
T:Toxic;
【Risk Statements】
R60;R40
【Safety Statements 】
S53;S22;S36/37/39;S45
【HazardClass】
IRRITANT
【Safety】

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.
Hazard Codes ToxicT
Risk Statements 60-40 
R40:Limited evidence of a carcinogenic effect. 
R60:May impair fertility.
Safety Statements 53-22-36/37/39-45
S22:Do not breathe dust. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S53:Avoid exposure - obtain special instructions before use. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS NK7962200

【Transport】
UN 2811
【Report】

EPA Genetic Toxicology Program.

Use and Manufacturing

【Usage】

 7-Nitroindazole (CAS NO.2942-42-9) is used as a potent, selective brain inhibitor of mouse cerebellar Nitric Oxide Synthase.

Biomedical Effects and Toxicity

【Biological Activity】
Sodium salt of the non-selective NOS inhibitor 7-nitroindazole (7-Nitroindazole).
【Pharmacological Action】
- Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
- Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
- Drugs used to prevent SEIZURES or reduce their severity.
- Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
- Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Supplier Location

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