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13182-89-3

13182-89-3 structure
13182-89-3 structure
  • Name: Metronidazole Benzoate
  • Chemical Name: metronidazole benzoate
  • CAS Number: 13182-89-3
  • Molecular Formula: C13H13N3O4
  • Molecular Weight: 194.184
  • Catalog: API Antiparasitic drug Anti-amebiasis and anti-trichomoniasis drugs
  • Create Date: 2018-04-12 08:00:00
  • Modify Date: 2024-01-02 00:34:41
  • Metronidazole Benzoate, derives from a metronidazole and a benzoic acid, has a role as an antibacterial, antimicrobial, antiparasitic, and antitrichomonal agent[1].

Name metronidazole benzoate
Synonyms (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid
caffeic acid 3-methyl ether
Benzoylmetronildazole
Coniferic acid
(E)-4-hydroxy-3-methoxy-Cinnamic acid
(E)-4-Hydroxy-3-methoxycinnamic acid
MFCD00239523
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (2E)-
Metronidazole Benzoate
(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid
(2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid
2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate
Ferulic acid
Ferulic acid, trans-
3-(4-Hydroxy-3-methoxyphenyl)propenoic acid
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
(2E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid
EINECS 236-131-7
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, benzoate (ester)
Ferulic acid, E-
Description Metronidazole Benzoate, derives from a metronidazole and a benzoic acid, has a role as an antibacterial, antimicrobial, antiparasitic, and antitrichomonal agent[1].
Related Catalog
Target

Antibacterial, antimicrobial, antiparasitic, antitrichomonal[1]

In Vitro Metronidazole Benzoate is indicated for the treatment of infections caused by a wide range of anaerobic, protozoan and bacteroid bacteria, including trichomoniasis, amebiasis, vaginosis and gingivitis[1].
References

[1]. Santiago de Oliveira Y, et al. The design of novel metronidazole benzoate structures: exploring stoichiometric diversity. Acta Crystallogr C Struct Chem. 2019 May 1;75(Pt 5):483-495.

Density 1.3±0.1 g/cm3
Boiling Point 372.3±27.0 °C at 760 mmHg
Melting Point 102 °C
Molecular Formula C13H13N3O4
Molecular Weight 194.184
Flash Point 150.5±17.2 °C
Exact Mass 194.057907
PSA 89.94000
LogP 1.64
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.627

Section 1. Chemical Product and Company Identification
Metronidazole benzoateCatalog
M1357, M1183
Common Name/
Number(s).
Trade Name
CAS#13182-89-3
Manufacturer
RTECSNot available.
SPECTRUM CHEMICAL MFG. CORP.
TSCATSCA 8(b) inventory: No
products were found.
Commercial Name(s)Not available.
CI# Not available.
Synonym2-Methyl-5-nitroimidazole-1-ethanol benzoate
IN CASE OF EMERGENCY
Not available.
Chemical Name
Chemical FamilyNot available.CALL (310) 516-8000
C13H13N3O4
Chemical Formula
SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
Exposure Limits
TWA (mg/m3)STEL (mg/m3) CEIL (mg/m3)
NameCAS #% by Weight
1) Metronidazole benzoate13182-89-3100
Toxicological DataMetronidazole benzoate
on IngredientsLD50: Not available.
LC50: Not available.

Section 3. Hazards Identification
Potential Acute Health Effects Hazardous in case of skin contact (irritant), of eye contact (irritant), of ingestion, of inhalation.
Potential Chronic HealthCARCINOGENIC EFFECTS: Not available.
EffectsMUTAGENIC EFFECTS: Not available.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure is not known to aggravate medical condition.
Metronidazole benzoate

Section 4. First Aid Measures
Eye ContactCheck for and remove any contact lenses. Do not use an eye ointment. Seek medical attention.
Skin ContactAfter contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin
with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
Cover the irritated skin with an emollient. If irritation persists, seek medical attention. Wash contaminated
clothing before reusing.
Serious Skin ContactWash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical
attention.
InhalationAllow the victim to rest in a well ventilated area. Seek immediate medical attention.
Serious InhalationNot available.
IngestionDo not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not
breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention.
Serious IngestionNot available.

Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash PointsNot available.
Flammable LimitsNot available.
These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
Products of Combustion
Fire Hazards in Presence of Not available.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available.
Fire Fighting MediaSMALL FIRE: Use DRY chemical powder.
and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks onNot available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

Section 6. Accidental Release Measures
Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large Spill
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.
Metronidazole benzoate

Section 7. Handling and Storage
PrecautionsKeep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not breathe dust. Wear suitable
protective clothing In case of insufficient ventilation, wear suitable respiratory equipment If you feel unwell, seek
medical attention and show the label when possible. Avoid contact with skin and eyes
StorageKeep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly
closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
and away from strong oxidizing agents.

Section 8. Exposure Controls/Personal Protection
Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal ProtectionSplash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.
Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure LimitsNot available.

Section 9. Physical and Chemical Properties
Physical state and appearance Solid.OdorNot available.
TasteNot available.
275.3 g/mole
Molecular Weight
ColorNot available.
pH (1% soln/water)Not available.
Boiling PointNot available.
Melting PointNot available.
Critical TemperatureNot available.
Specific GravityNot available.
Not applicable.
Vapor Pressure
Vapor DensityNot available.
VolatilityNot available.
Odor ThresholdNot available.
Water/Oil Dist. Coeff.Not available.
Not available.
Ionicity (in Water)
Dispersion PropertiesNot available.
Not available.
Solubility

Section 10. Stability and Reactivity Data
The product is stable.
Stability
Instability TemperatureNot available.
Not available.
Conditions of Instability
Incompatibility with various Not available.
substances
Metronidazole benzoate
CorrosivityNon-corrosive in presence of glass.
Special Remarks onNot available.
Reactivity
Special Remarks onNot available.
Corrosivity
PolymerizationNo.

Section 11. Toxicological Information
Routes of EntryEye contact. Inhalation. Ingestion.
Toxicity to AnimalsLD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Other Toxic Effects onHazardous in case of skin contact (irritant), of ingestion, of inhalation.
Humans
Special Remarks onNot available.
Toxicity to Animals
Special Remarks onNot available.
Chronic Effects on Humans
Special Remarks on otherNot available.
Toxic Effects on Humans

Section 12. Ecological Information
EcotoxicityNot available.
BOD5 and CODNot available.
Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may
arise.
Toxicity of the ProductsThe products of degradation are more toxic.
of Biodegradation
Special Remarks on theNot available.
Products of Biodegradation

Section 13. Disposal Considerations
Waste Disposal

Section 14. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
IdentificationNot applicable.
Special Provisions forNot applicable.
Transport
Metronidazole benzoate
DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
No products were found.
Federal and State
Regulations
CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found
to cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found
to cause birth defects which would require a warning under the statute: No products were found.
Other RegulationsNot available..
WHMIS (Canada) Not controlled under WHMIS (Canada).
Other Classifications
DSCL (EEC)R36/38- Irritating to eyes and skin.
Health Hazard
HMIS (U.S.A.)2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent.
Metronidazole benzoate


SECTION 16 - ADDITIONAL INFORMATION
N/A
RIDADR NONH for all modes of transport
HS Code 2933990090
HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%