(9ci)-5,6-二甲基-1H-苯并咪唑-2-甲胺 | 89219-03-4

• 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: (9ci)-5,6-二甲基-1H-苯并咪唑-2-甲胺
• 英文名称: (5,6-dimethyl-1H-benzo[d]imidazol-2-yl)methanamine
• 英文别名: C-(5,6-dimethyl-1H-benzimidazol-2-yl)-methylamine；(5,6-dimethyl-1H-benzimidazol-2-yl)methanamine
• CAS: 89219-03-4
• 化学式: C₁₀H₁₃N₃
• 分子量: 175.233
• InChiKey: YVGNMPOXSOIKSS-UHFFFAOYSA-N

物化性质

• 沸点：
  407.8±33.0 °C(Predicted)
• 密度：
  1.186±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 1-(5,6-Dimethyl-1H-Benzimidazol-2-Yl)Methanamine
: CBR01235
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 175,24 g/mol
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
No special environmental precautions required.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
point
f) Initial boiling point and No data available
boiling range
g) Flash point No data available
h) Evaporation rate No data available
i) Flammability (solid, gas) No data available
j) Upper/lower No data available
flammability or
explosive limits
k) Vapour pressure No data available
l) Vapour density No data available
m) Relative density No data available
n) Water solubility No data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignition No data available
temperature
q) Decomposition No data available
temperature
r) Viscosity No data available
s) Explosive properties No data available
t) Oxidizing properties No data available
Other safety information
No data available

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SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available

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SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
No data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,4-dibromo-5-methoxy-2(5H)-furanone 、 (9ci)-5,6-二甲基-1H-苯并咪唑-2-甲胺 在 potassium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以88%的产率得到3-bromo-4-((5,6-dimethyl-1H-benzo[d]imidazol-2-yl)methylamino)-5-methoxyfuran-2(5H)-one
  参考文献：
  名称：

  One-Pot Synthesis of 5-Alkoxy-4-amino-3-halo-2(5<i>H</i>)-furanones Containing Benzimidazole Moiety in the Absence of Metal Catalyst

  摘要：

  在 KF 为碱、THF 为溶剂存在下，串联迈克尔加成-消除反应 不同5-烷氧基-3,4-二卤-2(5H)-呋喃酮与氨甲基苯并咪唑在室温下的反应 温度下得到 21 种目标化合物，同时含有生物活性苯并咪唑和 2(5H)-呋喃酮部分的产率为 62-88%（大部分超过 71%）。所有新建的结构 合成的化合物通过 FTIR、UV、1H NMR、13C NMR、mass 等进行了阐明和证实 光谱学和元素分析。简单的一锅合成方法为引入 在温和条件下，无需任何金属催化剂，将苯并咪唑单元转化为2(5H)-呋喃酮衍生物。这种转变 还为2(5H)-呋喃酮系列衍生物提供了重要的合成策略，以及活性的基础 测试这些潜在的药物分子。

  DOI：

  10.2174/1570178612666150305002655
• 作为产物：
  描述：

  4，5-二甲基-1，2-苯二胺 在 盐酸 、 水 作用下， 生成 (9ci)-5,6-二甲基-1H-苯并咪唑-2-甲胺
  参考文献：
  名称：

  Mamalis et al., Journal of the Chemical Society, 1950, p. 1600,1602

  摘要：

  DOI：

文献信息

• Synthesis of Benzimidazoles from Amino Acids with Solvent-free Melting Method
  作者：Ren-Hong Chen、Jin-Feng Xiong、Pai Peng、Guang-Zhen Mo、Xing-San Tang、Zhao-Yang Wang、Xiu-Fang Wang

  DOI：10.14233/ajchem.2014.16438

  日期：——

  By using low cost and readily available amino acids as the synthetic blocks, a series of 2-aminomethyl-benzimidazole are synthesized with solvent-free melting method. While the condensation of aspartic acid (or asparagine) with o-diaminobenzene gives the fluorescent bisbenzimidazole product without amino group via the further deamination reaction in the melting reaction system. The condensation reactions between most amino acids and o-diaminobenzenes exhibits higher yields of 58 to 86 % (mostly over 66 %), shorter reaction time (5 h) than that previously reported and better tolerance for different functional groups in amino acids. The structures of twenty benzimidazoles with multifunctional groups, including thirteen new compounds, are systematically characterized with FTIR, 1H NMR, 13C NMR, MS and elemental analysis. These investigations are beneficial to the further researches on their applications in biochemistry, coordination chemistry and organic synthesis intermediates.

  利用低成本且易获取的氨基酸作为合成模块，通过无溶剂熔融法合成了一系列2-氨基甲基苯并咪唑。将天冬氨酸（或天冬酰胺）与邻二氨基苯缩合，在熔融反应体系中通过进一步的脱氨基反应得到了无氨基的发光双苯并咪唑产物。大多数氨基酸与邻二氨基苯的缩合反应表现出更高的产率（58%至86%，大多超过66%），反应时间更短（5小时），并且对氨基酸中的不同官能团具有更好的耐受性。通过FTIR、1H NMR、13C NMR、MS和元素分析系统地表征了含有多官能团的二十种苯并咪唑的结构，其中包括十三种新化合物。这些研究有利于进一步探索它们在生物化学、配位化学和有机合成中间体中的应用。
• INHIBITION AND DISPERSION OF BIOFILMS IN PLANTS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES
  申请人：Melander Christian

  公开号：US20110294668A1

  公开（公告）日：2011-12-01

  Disclosure is provided for methods of preventing, removing or inhibiting microbial biofilm formation or microbial infection in a plant or plant part thereof, including applying thereto a treatment effective amount of an active compound as described herein, or an agriculturally acceptable salt thereof. Methods of enhancing a microbicide (e.g., including a copper, antibiotic, bacteriophage, etc.) and/or plant defense activator are also provided, including applying an active compound as described herein. Compositions comprising an active compound as described herein in an agriculturally acceptable carrier are also provided, and in some embodiments the compositions further include a microbicide (e.g., including copper, antibiotic, bacteriophage, etc.) and/or plant defense activator.

  本文提供了一种防止、去除或抑制植物或植物部分中微生物生物膜形成或微生物感染的方法，包括施用本文所述的活性化合物或其农业上可接受的盐的治疗有效量。本文还提供了增强微生物杀菌剂（例如铜、抗生素、噬菌体等）和/或植物防御活化剂的方法，包括施用本文所述的活性化合物。本文还提供了包含本文所述的活性化合物在农业上可接受的载体中的组合物，有些实施例中，该组合物还包括微生物杀菌剂（例如铜、抗生素、噬菌体等）和/或植物防御活化剂。
• Benzimidazole Inhibitors of the Sodium Channel
  申请人：DeGiacomo Mark G.

  公开号：US20180111894A1

  公开（公告）日：2018-04-26

  The invention relates to compounds useful in treating conditions associated with voltage-gated ion channel function, particularly conditions associated with sodium channel activity. More specifically, the invention concerns compounds (e.g., compounds according to any of Formulas (I)-(XIII) and in particular Formula (X), and Compounds (1)-(236) of Table 1) that are useful in treatment of a variety of diseases and conditions.
• US7482357B2
  申请人：——

  公开号：US7482357B2

  公开（公告）日：2009-01-27
• [EN] INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES<br/>[FR] INHIBITION ET DISPERSION DE FILMS BIOLOGIQUES BACTÉRIENS AVEC DÉRIVÉS D'IMIDAZOLE-TRIAZOLE
  申请人：UNIV NORTH CAROLINA STATE

  公开号：WO2009131654A2

  公开（公告）日：2009-10-29

  Disclosure is provided for imidazole-triazole derivative compounds that prevent, remove and/or inhibit the formation of biofilms, compositions comprising these compounds, devices comprising these compounds, and methods of using the same.