88054-22-2 (2-甲基-5-硝基咪唑,Menidazole)

CAS号:
88054-22-2
中文名称:
2-甲基-5-硝基咪唑
英文名称:
Menidazole
分子式:
C4H5N3O2
分子量:
127.101400136948

2-甲基-5-硝基咪唑(88054-22-2)名称与标识符

名称

中文别名:
2-甲基-5-硝基咪唑;2-甲基-5-硝基咪唑 标准品;替硝唑杂质A;替硝唑杂质A EP标准品;2甲基5硝基咪唑;
英文别名:
2-Methyl-5-nitroimidazole;2-METHYL-4-NITRO-1H-IMIDAZOLE;2-Methyl-5-nitro-1H-imidazole;2-Methyl-4-nitroimidazole;Menidazole;1H-Imidazole, 2-methyl-4-nitro-;1H-Imidazole, 2-methyl-5-nitro-;2-Methyl-4(5)-nitroimidazole;Imidazole, 2-methyl-4-nitro-;RP 8532;24AG2WW15W;Imidazole, 2-methyl-5-nitro-;FFYTTYVSDVWNMY-UHFFFAOYSA-N;PubChem15969;5-nitro-2-methylimidazole;2-methyl -5-nitroimidazole;2-M;CHEBI:181956;FT-0612958;EC 211-790-3;BCP32909;L-581490;Metronidazole impurity A;UNII-24AG2WW15W;AKOS025394814;CS-W011149;Q27253838;Z1245636358;AS-10894;2-Methyl-5-nitroimidazole, British Pharmacopoeia (BP) Reference Standard;AKOS000294748;100215-29-0;696-23-1;AC-10807;SMR004703227;InChI=1/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6);Tinidazole impurity A, European Pharmacopoeia (EP) Reference Standard;Menidazole, VETRANAL(TM), analytical standard;DTXSID2061010;AC-8195;PD055434;F1905-7036;2-Methyl-4(5)nitroimidazole;FT-0612982;88054-22-2;FFYTTYVSDVWNMY-UHFFFAOYSA-;BCP32918;RP-8532;Tinidazole EP Impurity A;Ornidazole Impurity B;2-Methyl-5-nitroimidazole;M0922;InChI=1/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6;AM20120266;TINIDAZOLE IMPURITY A [EP IMPURITY];2-methyl-4-nitro-3H-imidazole;METHYL-4-NITROIMIDAZOLE, 2-;AKOS015912419;EN300-21470;SR-01000945053-1;Imidazole, 2-methyl-4(or 5)-nitro-;AKOS000266160;METRONIDAZOLE BENZOATE IMPURITY B [EP IMPURITY];Tinidazole impurity A;EINECS 211-790-3;SB38360;A842456;W-109594;CHEMBL134454;SCHEMBL63215;NS00007865;SR-01000945053;Q-200303;MFCD00005191;ORNIDAZOLE METABOLITE M1;2-Methyl-4(5)-nitroimidazole, 99%;Metronidazole impurity A, European Pharmacopoeia (EP) Reference Standard;MLS006011386;Metronidazole Imp. A (EP); Metronidazole Benzoate Imp. B (EP); Tinidazole Imp. A (EP); Tinidazole USP Related Compound A; Tinidazole USP RC A;ALBB-020792;STK320516;DB-025909;

标识符

MDL:
MFCD00151322
InChIKey:
FFYTTYVSDVWNMY-UHFFFAOYSA-N
Inchi:
1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6)
SMILES:
[O-][N+](C1=CN=C(C)N1)=O

2-甲基-5-硝基咪唑(88054-22-2)物化性质

实验特性

  • LogP : 1.14950
  • PSA : 74.50000
  • 折射率 : 1.5000 (estimate)
  • 沸点 : 339°C at 760 mmHg
  • 熔点 : 252-254 ºC
  • 闪点 : 0°C
  • 溶解度 : Slightly soluble in ethanol, easily soluble in diluted acid and diluted alkali.
  • 颜色与性状 : 晶体
  • 溶解性 : 无可用
  • 密度 : 1.426

计算特性

  • 精确分子量 : 127.03800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 127.038
  • 重原子数量 : 9
  • 复杂度 : 122
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.3
  • 拓扑分子极性表面积 : 74.5

2-甲基-5-硝基咪唑(88054-22-2)国际标准相关数据

EINECS:
211-790-3

2-甲基-5-硝基咪唑(88054-22-2)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 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

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%

2-甲基-5-硝基咪唑(88054-22-2)生产方法和用途

用途:
甲硝羟乙唑(灭滴灵)的中间体
生产方法:
用2-甲基咪唑以混酸硝化制得。

2-甲基-5-硝基咪唑(88054-22-2)推荐厂家 更多厂家(139)

2-甲基-5-硝基咪唑(88054-22-2)谱图信息

1H NMR300 MHzDMSO
1H NMR
13C NMR
13C NMR

2-甲基-5-硝基咪唑(88054-22-2)相关文献

2-甲基-5-硝基咪唑(88054-22-2)参考资料

Reaxys RN:
Beilstein:
4032
PubChem CID:

2-甲基-5-硝基咪唑(88054-22-2) MSDS

基础信息

Name:2-Methyl-5-nitroimidazole 99% Material Safety Data Sheet
Synonym:None listed
CAS:88054-22-2
Section 1 - Chemical Product ? MSDS Name:2-Methyl-5-nitroimidazole 99% Material Safety Data Sheet
Synonym:None listed

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
88054-22-22-Methyl-5-nitroimidazole99unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 88054-22-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: beige
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 252.00 - 254.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C4H5N3O2
Molecular Weight: 127.10

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 88054-22-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-5-nitroimidazole - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 88054-22-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 88054-22-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 88054-22-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A