2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate

Basic Information

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CAS Number

13182-89-3

Molecular Formula

C13H13N3O4

Molecular Weight

275.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

99-103°C

Boiling Point

579.4°C at 760 mmHg

Density

1.31

Flash Point

248.7°C

SMILES

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CC1=NC=C(N1CCOC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c1-10-14-9-12(16(18)19)15(10)7-8-20-13(17)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3

InChIKey

CUUCCLJJOWSASK-UHFFFAOYSA-N

LogP

2.47990

Complexity

352

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

Benzoylmetronildazole
METRONIDAZOLE BENZOATE (USP MONOGRAPH)
METRONIDAZOLE BENZOATE [WHO-DD]
Elyzol (TN)
UNII-A355C835XC
Metronidazole benzoate; 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
Metronidazole benzoate (USP:BAN)
Metronidazole benzoate (USP)
SolutitionKitsMetronidazole
Benzoylmetronildazole;
AKOS040733724
AC-14443
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, 1-benzoate
Metronidazole Benzoate;Benzoyl metronidazole
CHEBI:50688
Flagyl S
CHEMBL1466172
2-(2-methyl-5-nitroimidazol-1-yl)ethyl benzoate
METRONIDAZOLE BENZOATE [MART.]
AB06961
Oprea1_489419
CCG-253836
METRONIDAZOLI BENZOAS [WHO-IP LATIN]
C90395
NCGC00160502-01
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
METRONIDAZOLE BENZOATE [WHO-IP]
Benzoyl metronidazole
Metronidazole benzoate
METRONIDAZOLE BENZOATE (USP-RS)
METRONIDAZOLE BENZOATE [USP-RS]

MDL Number

MFCD00693654

Customs Code

2933990090

FAQ

What is 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3)?

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate is an organic compound with the CAS number 13182-89-3. It is a benzoate ester derivative containing an imidazole ring with nitro and methyl substituents. This compound is known for its aromatic structure and potential applications in chemical research and pharmaceutical development. It exhibits moderate solubility in organic solvents and is typically used in controlled environments due to its chemical reactivity.

What are the main uses of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3)?

The primary uses of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3) include pharmaceutical research, particularly in the development of anti-inflammatory and antimicrobial agents. It is also used in organic synthesis as an intermediate and in the formulation of specialty chemicals. Its unique structure makes it valuable in studies related to drug design and chemical reactivity.

Is 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3) safe?

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3) is generally considered safe when handled properly. However, it may cause skin and eye irritation, and inhalation should be avoided. Protective gloves, goggles, and a well-ventilated area are recommended during use. It is important to follow safety guidelines and proper disposal procedures to minimize risks.

How should 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3) be stored?

2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate (CAS: 13182-89-3) should be stored in a cool, dry, and dark place, away from heat and direct light. It is best kept in a sealed container at a temperature below 25°C and in low humidity conditions. Avoid exposure to incompatible materials to ensure stability and safety during storage.