2-溴甲基-1,3-苯并噻唑 | 106086-78-6

• 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 - 苯并噻唑类
• 中文名称: 2-溴甲基-1,3-苯并噻唑
• 中文别名: 2-(溴甲基)苯并噻唑
• 英文名称: 2-(bromomethyl)-1,3-benzothiazole
• 英文别名: 2-bromomethyl-benzothiazole；2-(bromomethyl)benzo[d]thiazole
• CAS: 106086-78-6
• 化学式: C₈H₆BrNS
• mdl: MFCD00461195
• 分子量: 228.112
• InChiKey: WFLCAOGKZQTOIG-UHFFFAOYSA-N

物化性质

• 熔点：
  47 °C
• 沸点：
  288℃
• 密度：
  1.680
• 闪点：
  128℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  41.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 危险类别码：
  R34
• 危险品运输编号：
  UN 3261
• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H315,H318,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338
• 储存条件：
  2-8°C

SDS

Name:	2-(Bromomethyl)-1 3-benzothiazole 95+% Material Safety Data Sheet
Synonym:
CAS:	106086-78-6

Section 1 - Chemical Product MSDS Name:2-(Bromomethyl)-1 3-benzothiazole 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
106086-78-6	2-(Bromomethyl)-1,3-benzothiazole	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
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.

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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# 106086-78-6: 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.

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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: 49 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: C8H6BrNS
Molecular Weight: 228

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 106086-78-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(Bromomethyl)-1,3-benzothiazole - 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# 106086-78-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 106086-78-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 106086-78-6 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-溴甲基-1,3-苯并噻唑 生成 2-(2-methyl-but-1-enyl)-benzothiazole
  参考文献：
  名称：

  693.通过霍纳反应合成杂环烯烃

  摘要：

  DOI：

  10.1039/jr9650003793
• 作为产物：
  描述：

  2-甲基苯并噻唑 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 以61%的产率得到2-溴甲基-1,3-苯并噻唑
  参考文献：
  名称：

  通过强效 GFP 成像兼容光开关试剂 SBTubA4P 和 SBTub2M 对微管动力学和完整性、迁移和有丝分裂进行体内光控制

  摘要：

  光开关试剂是细胞生物学高精度研究的强大工具。当这些试剂在二维 (2D) 细胞培养物中全局施用但局部光激活时，它们可以发挥微米和毫秒级的生物控制作用。这使得它们在生物学上更相关的三维（3D）模型和体内具有巨大的应用潜力，特别是对于研究具有固有时空复杂性的系统，例如细胞骨架。然而，由于典型成像条件下的光开关异构化、代谢缺陷以及有效浓度下水溶性不足的综合作用，光开关试剂解决胞质蛋白靶标的体内潜力在很大程度上仍未实现。在这里，我们优化了基于苯乙烯基苯并噻唑 (SBT) 支架的代谢稳定、类药秋水仙素微管抑制剂的效力和溶解度，该支架对典型的荧光蛋白成像波长无响应，因此能够进行多通道成像研究。我们在一种和两种蛋白质成像实验中将这些试剂应用于 3D 类器官和组织外植体以及经典模型生物（斑马鱼、爪蛙），其中时空局部照明使它们能够光控制微管动力学、网络结构和微管。具有细胞精度和秒级分辨率的体内依赖过程。这些纳

  DOI：

  10.1021/jacs.2c01020

文献信息

• Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist
  申请人：SmithKline Beecham Corporation