1,2-二甲基苯并咪唑 | 2876-08-6

• 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: 1,2-二甲基苯并咪唑
• 英文名称: 1,2-dimethyl-1H-benzimidazole
• 英文别名: 1,2-dimethylbenzimidazole；1,2-dimethyl-1H-benzo[d]imidazole
• CAS: 2876-08-6
• 化学式: C₉H₁₀N₂
• mdl: MFCD00022840
• 分子量: 146.192
• InChiKey: PJQIBTFOXWGAEN-UHFFFAOYSA-N

物化性质

• 熔点：
  111 °C
• 沸点：
  164 °C / 6mmHg
• 密度：
  1.09±0.1 g/cm3(Predicted)
• 溶解度：
  溶于甲醇
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存于阴凉干燥处。

SDS

1,2-Dimethylbenzimidazole Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 1,2-Dimethylbenzimidazole

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 1,2-Dimethylbenzimidazole
Percent: >97.0%(GC)(T)
CAS Number: 2876-08-6
Chemical Formula: C9H10N2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
1,2-Dimethylbenzimidazole

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Section 5. FIRE-FIGHTING MEASURES
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: Crystal- Powder
Colour: Very pale yellow - Pale reddish yellow
Odour: No data available
pH: No data available
Melting point/freezing point:111°C
164°C/0.8kPa
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
No data available
Relative density:
Solubility(ies):
No data available
[Water]
[Other solvents]
Methanol
Soluble:
1,2-Dimethylbenzimidazole

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
Not listed
UN-No:

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
1,2-Dimethylbenzimidazole

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2-二甲基苯并咪唑 在 硫酸 作用下， 以 硝酸 为溶剂， 以93%的产率得到1,2-dimethyl-5,6-dinitrobenzimidazole
  参考文献：
  名称：

  PDGF receptor kinase inhibitory compounds, their preparation, purification and pharmaceutical compositions including same

  摘要：

  一种包括一般公式为：1的化合物的酪普司汀制备物，其中对于化合物I，制备物在位置6处或位置7处富集R6，或对于化合物II，制备物在位置6处或位置8处富集R6。

  公开号：

  US20020028817A1
• 作为产物：
  描述：

  2-甲基苯并咪唑 在 氢氧化钾 作用下， 以 acetone, methyl iodide 、 水 为溶剂， 以6 grams (54%)的产率得到1,2-二甲基苯并咪唑
  参考文献：
  名称：

  PDGF receptor kinase inhibitory compounds, their preparation, purification and pharmaceutical compositions including same

  摘要：

  一种包括一般公式为：1的化合物的酪普司汀制备物，其中对于化合物I，制备物在位置6处或位置7处富集R6，或对于化合物II，制备物在位置6处或位置8处富集R6。

  公开号：

  US20020028817A1

文献信息

• [EN] HETEROARYL INHIBITORS OF PAD4<br/>[FR] INHIBITEURS HÉTÉROARYLES DE PAD4
  申请人：PADLOCK THERAPEUTICS INC

  公开号：WO2018049296A1

  公开（公告）日：2018-03-15

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.

  本发明提供了作为PAD4抑制剂有用的化合物，其组合物以及治疗与PAD4相关疾病的方法。
• POLYSUBSTITUTED DERIVATIVES OF 2-HETEROARYL-6-PHENYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF
  申请人：DE PERETTI Danielle

  公开号：US20110065727A1

  公开（公告）日：2011-03-17

  Compounds of formula (I): wherein R, R 1 , R 2 , R 3 , R 4 and X are as defined in the disclosure, or an acid addition salt thereof, and the therapeutic use and process of synthesis thereof.

  式（I）的化合物： 其中R、R1、R2、R3、R4和X如披露中所定义，或其酸盐，以及其治疗用途和合成过程。
• Rhodium catalyzed 2‐alkyl‐benzimidazoles synthesis from benzene‐1,2‐diamines and tertiary alkylamines as alkylating agents
  作者：Yamini、Saurabh Sharma、Pralay Das

  DOI：10.1002/aoc.6278

  日期：2021.8

  synthesized from benzene-1,2-diamine and tertiary amines as alkylating agent under polystyrene supported rhodium (Rh@PS) nanoparticles (NPs) catalyzed conditions. The heterogeneous rhodium catalyst was applied first time for the synthesis of 2-alkyl-benzimidazoles. The reaction followed through oxidation of alkylamines, transamination, and oxidative cyclisation with benzene-1,2-diamines for the corresponding

  在聚苯乙烯负载的铑（Rh@PS）纳米颗粒（NPs）催化条件下，以苯-1,2-二胺和叔胺为烷基化剂合成了取代的2-烷基-苯并咪唑。多相铑催化剂首次用于合成2-烷基-苯并咪唑。该反应通过烷基胺的氧化、氨基转移和与苯-1,2-二胺的氧化环化以良好的产率合成相应的产物。该工艺适用于广泛的底物范围，可以容忍多个官能团，并且 Rh@PS 催化剂最多可循环使用 4 次，催化活性没有显着损失。
• PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT
  申请人：Kawamura Masahiro

  公开号：US20100331585A1

  公开（公告）日：2010-12-30

  A phenanthrene derivative is represented by a formula (1) below. In the formula (1), Ar 1 and Ar 2 each represent an aromatic hydrocarbon ring group having 6 to 18 carbon atoms for forming the ring. The aromatic hydrocarbon ring group contains none of anthracene skeleton, pyrene skeleton, aceanthrylene skeleton and naphthacene skeleton. R 1 represents a substituent, the number of which may be 0, 1 or more. R 1 may be bonded in any position of the phenanthrene skeleton. n and m each represent an integer of 1 to 3. k represents an integer of 0 to 8.

  一个菲的衍生物由下面的公式（1）表示。在公式（1）中，Ar1和Ar2分别代表含有6到18个碳原子形成环的芳香烃环基团。芳香烃环基团不包含蒽骨架、芘骨架、乙酰芘骨架和萘骨架。R1代表一个取代基，其数量可以是0、1或更多。R1可以连接在菲的骨架的任何位置。n和m分别代表1到3的整数。k代表0到8的整数。
• [EN] TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS DE TRIAZOLE FURANE UTILISÉS EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018097944A1

  公开（公告）日：2018-05-31

  Compounds of Formula (I) and Formula (II), pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and have use in treating cardiovascular and other conditions. Compounds of Formula (I) and Formula (II) have the following structures: (I); (II). Intermediates (V) are also claimed.

  式(I)和式(II)的化合物，其药用盐，任何上述化合物的立体异构体，或它们的混合物是APJ受体的激动剂，并且在治疗心血管和其他疾病方面有用。式(I)和式(II)的化合物具有以下结构：(I); (II)。中间体(V)也被要求。

表征谱图