2,5-二甲基-1H-苯并咪唑 | 1792-41-2

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2,5-二甲基-1H-苯并咪唑
• 中文别名: 2,5-二甲基苯并咪唑
• 英文名称: 2,5-dimethylbenzimidazole
• 英文别名: 2,5-Dimethyl-benzimidazol；2,5-dimethyl-1H-benzimidazole；2,5-dimethyl-1H-benzo[d]imidazole；2,6-dimethyl-1H-benzimidazole
• CAS: 1792-41-2
• 化学式: C₉H₁₀N₂
• mdl: MFCD00125906
• 分子量: 146.192
• InChiKey: MVHOAOSHABGEFL-UHFFFAOYSA-N

物化性质

• 熔点：
  202-205 °C
• 沸点：
  255.81°C (rough estimate)
• 密度：
  1.0976 (rough estimate)
• 稳定性/保质期：
  常温常压下稳定，可与强还原剂和强氧化剂反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S22,S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332
• 储存条件：
  密封保存，存放在阴凉干燥处。

SDS

Name:	2 5-Dimethyl-1H-benzimidazole 99% Material Safety Data Sheet
Synonym:	None listed
CAS:	1792-41-2

Section 1 - Chemical Product MSDS Name:2 5-Dimethyl-1H-benzimidazole 99% Material Safety Data Sheet
Synonym:None listed

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1792-41-2	2,5-Dimethyl-1H-benzimidazole	99	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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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.

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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:

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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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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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.

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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. Keep container tightly closed. Avoid ingestion and inhalation. Do not breathe dust.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 1792-41-2: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: light brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C9H10N2
Molecular Weight: 146.19

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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:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1792-41-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dimethyl-1H-benzimidazole - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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

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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.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 1792-41-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1792-41-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1792-41-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,5-二甲基-1H-苯并咪唑 在 硫酸 、 硝酸 作用下， 以 水 为溶剂， 以75 %的产率得到2,6-dimethyl-5,7-dinitrobenzimidazole
  参考文献：
  名称：

  4,6-二硝基苯并咪唑的区域特异性还原：合成、表征和生物学评价

  摘要：

  研究了 4,6-二硝基苯并咪唑衍生物的区域特异性还原，生成相应的 4-氨基-6-硝基苯并咪唑。通过光谱和X射线衍射数据来鉴定所形成的产品结构。对合成化合物的抗癌和抗寄生虫活性进行了检查，发现除了 4-氨基-6-硝基苯并咪唑衍生物对弓形虫和利什曼原虫具有中等抗癌活性外，某些 4,6-二硝基苯并咪唑还具有良好的抗弓形虫和利什曼原虫主要寄生虫活性。弓形虫细胞。然而，肿瘤细胞实验显示 p53 阴性结肠癌细胞对这些化合物具有良好的敏感性。

  DOI：

  10.1002/cbdv.202300191
• 作为产物：
  描述：

  N-(5-Methyl-2-nitro-phenyl)-acetimidic acid methyl ester 在 硫酸氢铵 、 magnesium 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以86%的产率得到2,5-二甲基-1H-苯并咪唑
  参考文献：
  名称：

  AMMONIUM SULPHATE- MAGNESIUM SELECTIVE REDUCTION OF N-2-NITROPHENYLIMIDATES: SYNTHESIS OF 2-SUBSTITUTED BENZIMIDAZOLES

  摘要：

  Various N-2-nitrophenylimidates were selectively reduced by (NH4)(2)SO4-Mg to the non-isolated N-2-aminophenylimidates which cyclise to the corresponding 2-substituted benzimidazoles.

  DOI：

  10.1081/scc-120002122

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Anti-Viral Compounds
  申请人：DeGoey David A.

  公开号：US20100317568A1

  公开（公告）日：2010-12-16

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

  描述了一种有效抑制丙型肝炎病毒（“HCV”）复制的化合物。本发明还涉及制备这种化合物的方法、包含这种化合物的组合物，以及使用这种化合物治疗HCV感染的方法。
• Indium-mediated one-pot benzimidazole synthesis from 2-nitroanilines or 1,2-dinitroarenes with orthoesters
  作者：Jaeho Kim、Jihye Kim、Hyunseung Lee、Byung Min Lee、Byeong Hyo Kim

  DOI：10.1016/j.tet.2011.08.017

  日期：2011.10

  One-pot reduction-triggered heterocyclizations from 2-nitroanilines or 1,2-dinitroarenes to benzimidazoles were investigated in this study. In the presence of indium/AcOH in ethyl acetate at reflux, reaction of 2-nitroanilines or 1,2-dinitroarenes with R–C(OMe)3 (R=Me, Ph) produced excellent yields of the corresponding benzimidazoles within 30 min to 6 h depending on the substituents of the starting

  在此研究中，研究了从2-硝基苯胺或1,2-二硝基芳烃到苯并咪唑的一锅还原触发的杂环化反应。在乙酸乙酯中存在铟/ AcOH的条件下，回流时，2-硝基苯胺或1,2-二硝基芳烃与RC（OMe）3（R = Me，Ph）的反应在30分钟内可得到优异的相应苯并咪唑收率。 6小时取决于起始材料的取代基。在类似的反应条件下，与1,2-二硝基芳烃向苯并咪唑的铟介导的2-硝基苯胺到苯并咪唑的杂环化反应更快，并且产率更高。
• Enhanced catalytic activity of one-dimensional CdS @TiO2 core-shell nanocomposites for selective organic transformations under visible LED irradiation
  作者：Parvin Eskandari、Zahra Zand、Foad Kazemi、Moosa Ramdar

  DOI：10.1016/j.jphotochem.2021.113404

  日期：2021.9

  microscopy (TEM), UV–Vis spectroscopy, and UV–Vis diffuse reflectance spectroscopy (DRS). The as-synthesized sample was utilized for the selective reduction of nitro compounds to benzimidazole and anilide, and also the reduction of benzophenones to alcohol under blue LED irradiation. The 1D CdS@TiO2 CSNs exhibited enhanced photoactivity compared with the pure TiO2, CdS nanowires and commercial TiO2-P25. The

  在这项研究中，我们对通过简便方法制备的一维（1D）CdS @TiO 2核壳纳米复合材料（CSN）在可见光 LED 照射下的光催化活性感兴趣。为了合成一维 CdS@TiO 2核/壳结构，二氧化钛源（钛酸四丁酯）通过溶剂热法制备的 CdS 纳米线（NWs）表面的水蒸气传输水解。一维 CdS@TiO 2核壳纳米复合材料（CdS@TiO 2CSNs）使用X射线衍射（XRD）、扫描电子显微镜（SEM）、透射电子显微镜（TEM）、UV-Vis光谱和UV-Vis漫反射光谱（DRS）进行。合成样品用于选择性还原硝基化合物为苯并咪唑和苯胺，以及在蓝光 LED 照射下将二苯甲酮还原为醇。与纯TiO 2、CdS纳米线和商业TiO 2 -P25相比，一维CdS@TiO 2 CSNs表现出增强的光活性。对光催化剂的出色重复使用性进行了六次测试。结果表明，所制备的样品有可能为其他有机转化提供有前景的可见光驱动光催化剂。