4-Nitro-1H-imidazole

Basic Information

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CAS Number

3034-38-6

Molecular Formula

C3H3N3O2

Molecular Weight

113.08 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

303 °C (dec.)

Boiling Point

404.8°C at 760 mmHg

Solubility

0.40g/l

Refractive Index

1.4264 (estimate)

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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C1=C(NC=N1)[N+](=O)[O-]

InChI

InChI=1S/C3H3N3O2/c7-6(8)3-1-4-2-5-3/h1-2H,(H,4,5)

InChIKey

VYDWQPKRHOGLPA-UHFFFAOYSA-N

LogP

0.84110

Complexity

99.2

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

1H-4-Nitroimidazole
5-Nitro-1H-imidazole
NITROIMIDAZOLE, 4-
PS-4383
SCHEMBL44903
3034-38-6
4-NITRO-1H-IMIDAZOLE
CL 205086
Metronidazole IMpurtiy B; 5-nitro-1H-imidazole;1H-Imidazole, 4-nitro-
4(5)-Nitroimidazole
AB00374225-07
AC-1213
MFCD00005196
UNII-Y8U32AZ5O7
CL 205086 (9CI)
Imidazole, 4(or 5)-nitro-
5(4)-nitroimidazole
4-nitro-3H-imidazole
HMS2234E17
HMS3374L01
EN300-27185
NSC 50359
4-nitro-imidazole
AI3-60154
HY-78644
NS00006701
5-Nitroimidazole
4-nitro-1H-imidazole;5-Nitro-1H-imidazole
Z235345333
MLS001304931
Imidazole, 4-nitro-

MDL Number

MFCD00005196

Customs Code

29332990

FAQ

What is 4-Nitro-1H-imidazole (CAS: 3034-38-6)?

4-Nitro-1H-imidazole is a heterocyclic organic compound with the chemical formula C4H5N2O2. It contains an imidazole ring substituted with a nitro group at the 4-position. This compound is known for its aromatic structure and is commonly used in chemical research due to its reactivity and potential applications in drug development.

What are the main uses of 4-Nitro-1H-imidazole (CAS: 3034-38-6)?

4-Nitro-1H-imidazole is primarily used in pharmaceutical research as a precursor for various bioactive compounds. It also finds applications in the synthesis of agrochemicals, dyes, and materials science. Its versatility makes it a valuable intermediate in chemical synthesis and drug discovery processes.

Is 4-Nitro-1H-imidazole (CAS: 3034-38-6) safe?

4-Nitro-1H-imidazole is considered potentially hazardous and should be handled with care. It may cause irritation to the skin, eyes, and respiratory system. Safety measures include wearing appropriate personal protective equipment (PPE) and following standard laboratory protocols. It is classified under specific safety guidelines for chemical handling.

How should 4-Nitro-1H-imidazole (CAS: 3034-38-6) be stored?

4-Nitro-1H-imidazole should be stored in a cool, dry, and well-ventilated place, away from direct light. It is typically kept in a sealed container at a temperature below 25°C. Proper storage is essential to maintain its chemical stability and prevent degradation or contamination.