1-甲基-1H-苯并咪唑-2-甲酰氯 | 62366-47-6

• 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-甲基-1H-苯并咪唑-2-甲酰氯
• 英文名称: 1-methyl-1H-benzimidazole-2-carbonyl chloride
• 英文别名: 1-methylbenzimidazole-2-carbonyl chloride
• CAS: 62366-47-6
• 化学式: C₉H₇ClN₂O
• mdl: MFCD04972623
• 分子量: 194.62
• InChiKey: IOTXLDAZFMUJIC-UHFFFAOYSA-N

物化性质

• 沸点：
  354.1±25.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 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
• 危险品运输编号：
  UN 3261

SDS

Name:	1-Methyl-1H-benzimidazole-2-carbonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	62366-47-6

Section 1 - Chemical Product MSDS Name:1-Methyl-1H-benzimidazole-2-carbonyl chloride 97% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
62366-47-6	1-Methyl-1H-benzimidazole-2-carbonyl c	97	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

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.

---

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.

---

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.

---

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.

---

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.

---

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# 62366-47-6: 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.

---

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: 121.2 deg C
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: C9H7ClN2O
Molecular Weight: 194.62

---

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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 62366-47-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-1H-benzimidazole-2-carbonyl chloride - 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
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

---

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# 62366-47-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 62366-47-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 62366-47-6 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-氨基-3-甲氧基苯硼酸频那醇酯 、 1-甲基-1H-苯并咪唑-2-甲酰氯 在 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以35%的产率得到N-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-methyl-1H-benzimidazole-2-carboxamide
  参考文献：
  名称：

  Thienopyridine kinase inhibitors

  摘要：

  具有以下化学式的化合物对抑制蛋白酪氨酸激酶很有用。本发明还公开了制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。

  公开号：

  US20050020619A1
• 作为产物：
  描述：

  1-甲基-1H-苯并咪唑-2-羧酸 在 草酰氯 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 为溶剂， 反应 4.25h， 生成 1-甲基-1H-苯并咪唑-2-甲酰氯
  参考文献：
  名称：

  Thienopyridine kinase inhibitors

  摘要：

  具有以下化学式的化合物对抑制蛋白酪氨酸激酶很有用。本发明还公开了制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。

  公开号：

  US20050020619A1

文献信息

• Thienopyridine and furopyridine kinase inhibitors
  申请人：Betschmann Patrick

  公开号：US20050026944A1

  公开（公告）日：2005-02-03

  Compounds having the formula are useful for inhibiting protein tyrosine kinases. The present invention also discloses methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  具有以下化学式的化合物对抑制蛋白酪氨酸激酶具有用处。本发明还公开了制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS
  申请人：Betschmann Patrick

  公开号：US20070155776A1

  公开（公告）日：2007-07-05

  Compounds having the formula are useful for inhibiting protein tyrosine kinases. The present invention also discloses methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  具有化学式的化合物对于抑制蛋白质酪氨酸激酶具有用处。本发明还公开了制备该化合物的方法、含有该化合物的组合物以及使用该化合物的治疗方法。
• Use of a compound of formula 1 for making a pharmaceutical composition
  申请人：Biondi Miguel Ricardo

  公开号：US20070032474A1

  公开（公告）日：2007-02-08

  The invention relates to a compound of formula I or pharmaceutically acceptable salts thereof. The invention further relates to methods of use of this compound.
• US4116928A
  申请人：——

  公开号：US4116928A

  公开（公告）日：1978-09-26
• US4137235A
  申请人：——

  公开号：US4137235A

  公开（公告）日：1979-01-30