1H-Imidazole-1-ethanol,2-methyl-5-nitro-, 1-benzoate
- 中文别名:苯酰甲硝唑
- 中文释义:苯酰甲硝唑;灭滴灵;1-(2-苯甲酰氧乙基)-5-硝基-2-甲基咪唑;1-(2-苯甲酰氧乙基)-2-甲基-5-硝基咪唑;苯甲酸甲硝唑
- 英文别名:metronidazole benzoate;
2-Methyl-5-nitro-1H-imidazole-1-ethyl benzoate;
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate;
Metronidazole benzoate;
Benzoylmetronildazole
- CAS No.:13182-89-3
- 分子式:
C13H13N3O4
- 分子量:275.26
- 精确分子量:275.09100
- PSA:89.94000
- InChI:InChI=1/C7H6O2.C6H9N3O3/c8-7(9)6-4-2-1-3-5-6;1-5-7-4-6(9(11)12)8(5)2-3-10/h1-5H,(H,8,9);4,10H,2-3H2,1H3
- 分子结构式:
物化性质
- 密度:
- 1.31 g/cm3
- 沸点:
- 579.4ºC at 760 mmHg
- 闪点:
- 304.2ºC
- 蒸汽压:
- 2.88E-14mmHg at 25°C
安全信息
- 密度:
- 1.31 g/cm3
- 沸点:
- 579.4ºC at 760 mmHg
- 闪点:
- 304.2ºC
- 蒸汽压:
- 2.88E-14mmHg at 25°C
MSDS
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
海关数据
中国海关编码:2933990090
- 概述:
- 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
- 申报要素:
- 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
- 摘要/Summary:
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):无
2.氢键供体数量:0
3.氢键受体数量:5
4.可旋转化学键数量:5
5.互变异构体数量:无
6.拓扑分子极性表面积:89.9
7.重原子数量:20
8.表面电荷:0
9.复杂度:352
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1