3-(苯磺酰基)噻吩 | 16718-05-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(苯磺酰基)噻吩
• 英文名称: phenyl 3-thienyl sulfone
• 英文别名: 3-(Phenylsulfonyl)thiophene；3-(benzenesulfonyl)thiophene
• CAS: 16718-05-1
• 化学式: C₁₀H₈O₂S₂
• mdl: MFCD00052136
• 分子量: 224.304
• InChiKey: LGGLKPFTYFIQSY-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C
• 沸点：
  391.6±15.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  在常温常压下稳定，应避免与氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37,S37/39
• 危险类别码：
  R36/37/38,R37/38
• WGK Germany：
  3
• 海关编码：
  2934999090

SDS

Name:	3-(Phenylsulfonyl)thiophene 97% Material Safety Data Sheet
Synonym:
CAS:	16718-05-1

Section 1 - Chemical Product MSDS Name:3-(Phenylsulfonyl)thiophene 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
16718-05-1	3-(Phenylsulfonyl)thiophene	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
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 water spray, dry chemical, carbon dioxide, or chemical foam.

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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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16718-05-1: 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: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 115 - 117 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: C10H8O2S2
Molecular Weight: 224

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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:
Carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16718-05-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(Phenylsulfonyl)thiophene - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 16718-05-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16718-05-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16718-05-1 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：

  3-(苯磺酰基)噻吩 在 氢氧化钾 、 正丁基锂 、 一水合肼 作用下， 以 四氢呋喃 、 乙醚 、 乙二醇 为溶剂， 反应 5.0h， 生成 phenyl 2-methyl-3-thienyl sulfone
  参考文献：
  名称：

  Reaction of arylsulfonyl compounds with excess organolithium reagents Communication 16. Selectivity in the metallation of phenyl thienyl sulfones. Relative reactivity of the benzene and thiophene rings

  摘要：

  DOI：

  10.1007/bf00948060
• 作为产物：
  描述：

  Di-(3-thienyl) iodonium chloride 以28%的产率得到
  参考文献：
  名称：

  GRONOWITZ S.; HOLM B., J. HETEROCYCL. CHEM. , 1977, 14, NO 2, 281-287

  摘要：

  DOI：

文献信息

• CuI catalyzed sulfonylation of organozinc reagents with sulfonyl halides
  作者：Ying Fu、Wenbo Zhu、Xingling Zhao、Helmut Hügel、Zhouqiang Wu、Yuhu Su、Zhengyin Du、Danfeng Huang、Yulai Hu

  DOI：10.1039/c4ob00638k

  日期：——

  In this study, a facile CuI catalyzed synthesis of sulfones involving a nucleophilic addition of functionalized organozinc reagents to organic sulfonyl chlorides is realized. This reaction proceeds efficiently at room temperature, giving rise to various functional group substituted sulfones, generally in moderate to high yields. The method provides a novel, simple, and promising strategy for functionalized

  在这项研究中，实现了一种简便的CuI催化的砜合成，其中涉及将官能化的有机锌试剂亲核加成到有机磺酰氯中。该反应在室温下有效进行，通常以中等至高产率产生各种官能团取代的砜。该方法为硫化学研究领域中的功能化砜合成提供了一种新颖，简单，有希望的策略。
• Nickel-Catalyzed Synthesis of Diaryl Sulfones from Aryl Halides and Sodium Sulfinates
  作者：Nai-Wei Liu、Shuai Liang、Natalie Margraf、Saad Shaaban、Vanessa Luciano、Marcella Drost、Georg Manolikakes

  DOI：10.1002/ejoc.201701478

  日期：2018.3.14

  A nickel‐catalyzed cross‐coupling of sodium sulfinates with aryl halides is reported. The reaction provides diaryl sulfones in good yields and displays a broad tolerance towards functional groups.

  据报道亚磺酸钠与卤代芳基的镍催化交叉偶联。该反应以良好的产率提供二芳基砜，并且显示出对官能团的宽容度。
• THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME
  申请人：Kakiuchi Nobuyuki

  公开号：US20090127491A1

  公开（公告）日：2009-05-21

  A thiophene compound having sulfonyl groups which is represented by the formula [1]. It has high heat resistance and high unsusceptibility to oxidation and can improve solubility and dispersibility in various solvents. [In the formula, R 1 and R 2 each independently represents hydrogen, halogeno, cyano, etc.; and R 3 and R 3′ each independently represents C 1-20 alkyl, C 1-20 haloalkyl, phenyl optionally substituted by W, thienyl optionally substituted by W, etc. (W represents chlorine, etc.).]

  一种含有磺酰基的噻吩化合物，其化学式为[1]。它具有高耐热性和高抗氧化性，并可以提高在各种溶剂中的溶解度和分散性。[在公式中，R1和R2分别独立表示氢，卤素，氰基等; R3和R3'分别独立表示C1-20烷基，C1-20卤代烷基，苯基可选地取代W，噻吩基可选地取代W等（W代表氯等）。]
• Solution processible forms of neutral and electrically conductive poly(substituted heterocycles)
  申请人：ALLIED CORPORATION

  公开号：EP0203438A1

  公开（公告）日：1986-12-03

  This invention relates to solutions comprising doped and undoped poly(substituted heterocycles) and an organic solvent which can be used to form conducting polymer articles, including films.

  本发明涉及由掺杂和未掺杂的聚（取代杂环）和有机溶剂组成的溶液，可用于形成导电聚合物制品，包括薄膜。
• 10.3390/molecules29143418
  作者：Ding, Siyi、Tian, Weina、Lv, Qiaohuan、Miao, Zongcheng、Xu, Liang

  DOI：10.3390/molecules29143418

  日期：——

  An efficient cross-coupling of aryl bromides with sodium sulfinates, using an organoboron photocatalyst with nickel, is described herein. Under the irradiation of white light, this dually catalytic system enables the synthesis of a series of sulfone compounds in moderate to good yields. A broad range of functional groups and heteroaromatic compounds is tolerated under these reaction conditions. The

  本文描述了使用有机硼光催化剂与镍的芳基溴与亚磺酸钠的有效交叉偶联。在白光照射下，这种双重催化体系能够以中等至良好的收率合成一系列砜类化合物。在这些反应条件下，可以耐受多种官能团和杂芳族化合物。有机硼光催化剂的使用突出了铱或钌络合物的可持续替代品。这些发现对光化学领域做出了贡献，并为砜合成提供了一种更环保的方法。

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