苯并咪唑-2-甲酰氯盐酸盐 | 337508-58-4

• 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: 苯并咪唑-2-甲酰氯盐酸盐
• 中文别名: 1H-苯并咪唑-2-羰基氯盐酸盐
• 英文名称: 1H-benzimidazole-2-carbonyl chloride hydrochloride
• 英文别名: 1H-benzimidazole-2-carbonyl chloride;hydrochloride
• CAS: 337508-58-4
• 化学式: C₈H₅ClN₂O*ClH
• 分子量: 217.054
• InChiKey: DJYWWBKRYDGFMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 海关编码：
  2933990090
• 危险品运输编号：
  UN 3261

SDS

Name:	1H-Benzimidazole-2-carbonyl chloride hydrochloride 90+% Material Safety Data Sheet
Synonym:
CAS:	337508-58-4

Section 1 - Chemical Product MSDS Name:1H-Benzimidazole-2-carbonyl chloride hydrochloride 90+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
337508-58-4	1H-Benzimidazole-2-carbonyl chloride h	90+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

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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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under an inert atmosphere.

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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# 337508-58-4: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6Cl2N2O
Molecular Weight: 217.05

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 337508-58-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1H-Benzimidazole-2-carbonyl chloride hydrochloride - 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
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
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# 337508-58-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 337508-58-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 337508-58-4 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：

  苯并咪唑-2-甲酰氯盐酸盐 在 三氟化硼乙醚 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  对称和不对称BOIMPY荧光团的一锅策略

  摘要：

  我们报告了通过一种简单的一锅法改善了对红色发射BOIMPY荧光团（λ≈600 nm）的直接访问。我们的方法从容易获得的苯并咪唑-2-羧酸开始，不仅大大提高了总收率，还节省了昂贵的试剂和时间。另外，该方法促进了新颖的不对称BOIMPY基序的合成。因此，这些源自BODIPY核心的BOIMPY支架对于在可见光谱的吸引人的红色边缘上的荧光团更易于应用。

  DOI：

  10.1021/acs.joc.0c02860
• 作为产物：
  描述：

  1H-苯并咪唑-2-甲酸 在 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 苯并咪唑-2-甲酰氯盐酸盐
  参考文献：
  名称：

  对称和不对称BOIMPY荧光团的一锅策略

  摘要：

  我们报告了通过一种简单的一锅法改善了对红色发射BOIMPY荧光团（λ≈600 nm）的直接访问。我们的方法从容易获得的苯并咪唑-2-羧酸开始，不仅大大提高了总收率，还节省了昂贵的试剂和时间。另外，该方法促进了新颖的不对称BOIMPY基序的合成。因此，这些源自BODIPY核心的BOIMPY支架对于在可见光谱的吸引人的红色边缘上的荧光团更易于应用。

  DOI：

  10.1021/acs.joc.0c02860

文献信息

• HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE
  申请人：CE Pharm CO., LTD.

  公开号：US20190127337A1

  公开（公告）日：2019-05-02

  Provided are a heterocyclic carboxylic acid amide ligand and applications thereof in a copper catalyzed coupling reaction. Specifically, provided are uses of a compound represented by formula (I), definitions of radical groups being described in the specifications. The compound represented by formula (I) can be used as the ligand in the copper catalyzed coupling reaction of the aryl halogeno substitute, and is used or catalyzing the coupling reaction for forming the aryl halogeno substitute having C—N, C—O, C—S and other bonds.

  提供了一种杂环羧酸酰胺配体及其在铜催化的偶联反应中的应用。具体地，提供了一种由公式(I)表示的化合物的用途，其中自由基组的定义在说明书中有所描述。由公式(I)表示的化合物可作为铜催化偶联反应中芳基卤素取代物的配体，并用于催化形成具有C-N、C-O、C-S等键的芳基卤素取代物的偶联反应。