3-噻吩羧酸正丁酯 | 317385-62-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 噻吩类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 3-噻吩羧酸正丁酯
• 中文别名: 3-噻吩羧酸N-丁酯；3-噻吩羧酸丁酯
• 英文名称: butyl thiophene-3-carboxylate
• CAS: 317385-62-9
• 化学式: C₉H₁₂O₂S
• 分子量: 184.259
• InChiKey: PNELMESXUGBLMJ-UHFFFAOYSA-N

物化性质

• 沸点：
  249.1±13.0 °C(Predicted)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090
• 储存条件：
  室温

SDS

Butyl 3-Thiophenecarboxylate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Butyl 3-Thiophenecarboxylate

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: Butyl 3-Thiophenecarboxylate
Percent: ....
CAS Number: 317385-62-9
Synonyms: 3-Thiophenecarboxylic Acid Butyl Ester
Chemical Formula: C9H12O2S

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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.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
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.
Butyl 3-Thiophenecarboxylate

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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 Ensure adequate ventilation. Entry to non-involved personnel should be controlled
emergency procedures: around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
up: material should be promptly disposed of, in accordance with appropriate laws and
regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent generation of vapour or mist. Wash hands and face thoroughly after
handling.
Use a ventilation, local exhaust if vapour 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: Vapor 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): Liquid
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
No data available
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] No data available
Butyl 3-Thiophenecarboxylate

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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, Sulfur oxides
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 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.
Butyl 3-Thiophenecarboxylate

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

磁性金属配合物

反应信息

• 作为产物：
  描述：

  3-溴噻吩 、 一氧化碳 、 正丁醇 在 palladium diacetate 四甲基乙二胺 、 正丁基二(1-金刚烷基)膦 作用下， 115.0 ℃ 、500.0 kPa 条件下， 反应 16.0h， 以77%的产率得到3-噻吩羧酸正丁酯
  参考文献：
  名称：

  使用钯/二金刚烷基丁基膦催化剂对芳基和杂芳基溴化物进行有效的羰基化

  摘要：

  在庞大的单齿膦存在下，已开发出一般的钯催化的芳基和杂芳基溴化物的烷氧基羰基化反应。三种模型底物的丁氧基羰基化研究表明，与其他配体相比，二-1-金刚烷基-正丁基膦具有优势。在该催化剂体系的存在下，各种溴代芳烃以低产率（0.5mol％Pd或更低）以优异的产率提供了相应的苯甲酸衍生物（酯，酰胺，酸）。

  DOI：

  10.1002/adsc.200606044

文献信息

• Efficient Carbonylation of Aryl and Heteroaryl Bromides under Atmospheric Pressure of CO
  作者：Wei Han、Lei Shan、Jiansong Sun、Weizhun Yang、Weidong Zhang

  DOI：10.1055/s-0030-1261193

  日期：2011.9

  In the presence of Et(3)N and n-BuOH, efficient alkoxycarbonylation of (hetero) aromatic bromides was achieved under atmospheric pressure of carbon monoxide with in situ generated palladium/rac-BINAP as catalyst.

  在 Et(3)N 和 n-BuOH 的存在下，在一氧化碳的大气压下，以原位生成的钯/rac-BINAP 作为催化剂实现了（杂）芳族溴化物的有效烷氧基羰基化。
• Process for preparing polyolefins
  申请人：Nippon Petrochemicals Co., Ltd.

  公开号：EP0267794A2

  公开（公告）日：1988-05-18

  A process for preparing a polyolefin by homopolymerizing or copolymerizing an olefin or olefins using a catalyst comprising a solid catalyst component and an organometallic compound, said solid catalyst component being obtained by contacting at least a titanium compound and/or a vanadium compound with a solid material (a), said solid material (a) being obtained by contacting the following components (1), (2) and (3) with one another: (1) a silicon oxide and/or an aluminum oxide, (2) a magnesium halide, and (3) an organometallic compound.

  一种使用由固体催化剂组分和有机金属化合物组成的催化剂，通过均聚或共聚一种或多种烯烃制备聚烯烃的工艺，所述固体催化剂组分通过将至少一种钛化合物和/或钒化合物与固体材料（a）接触而获得，所述固体材料（a）通过将以下组分（1）、（2）和（3）相互接触而获得：（1）氧化硅和/或氧化铝，（2）卤化镁，和（3）有机金属化合物。
• Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists
  申请人：ZENECA LIMITED

  公开号：EP0499415A1

  公开（公告）日：1992-08-19

  The invention concerns pharmaceutically useful compounds of the formula I, in which R¹, R², R³, R⁴, R⁵, R⁶, R⁷, Rz, X and Z have the various meanings defined herein, and their non-toxic salts, and pharmaceutical compositions containing them. The novel compounds are of value in treating conditions such as hypertension and congestive heart failure. The invention further concerns processes for the manufacture of the novel compounds and the use of the compounds in medical treatment.

  本发明涉及式 I 的药用化合物，其中 R¹、R²、R³、R⁴、R⁵、R⁶、R⁷、Rz、X 和 Z 具有本文定义的各种含义，以及它们的无毒盐和含有它们的药物组合物。这些新型化合物具有治疗高血压和充血性心力衰竭等疾病的价值。本发明还涉及新型化合物的生产工艺以及这些化合物在医疗中的应用。
• US4525555A
  申请人：——

  公开号：US4525555A

  公开（公告）日：1985-06-25
• US5236937A
  申请人：——

  公开号：US5236937A

  公开（公告）日：1993-08-17

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