2-碘茴香硫醚 | 33775-94-9

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇/硫酚
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-碘茴香硫醚
• 中文别名: 2-碘硫代苯甲醚
• 英文名称: 2-(methylthio)iodobenzene
• 英文别名: 2-iodothioanisole；(2-iodophenyl)(methyl)sulfane；o-iodothioanisole；1-iodo-2-(methylthio)benzene；1-iodo-2-methylsulfanylbenzene
• CAS: 33775-94-9
• 化学式: C₇H₇IS
• 分子量: 250.103
• InChiKey: YENHZHSFWAPGIR-UHFFFAOYSA-N

物化性质

• 沸点：
  129 °C
• 密度：
  1.78±0.1 g/cm3(Predicted)
• 闪点：
  129-131°C/3mm
• 稳定性/保质期：

  如果按照规定使用和储存，则不会发生分解，目前没有发现已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  LIGHT SENSITIVE, STENCH
• 海关编码：
  29159080
• 危险品标志：
  C
• WGK Germany：
  1
• RTECS号：
  UE8750000
• 危险类别：
  8
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R35,R21/22,R34
• 包装等级：
  III
• 危险品运输编号：
  UN 3261 8/PG 2
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  请将贮藏器密封保存，并存放在阴凉、干燥处。同时，确保工作环境有良好的通风或排气设施。

SDS

Name:	1-Iodo-2-(methylthio)benzene 95+% Material Safety Data Sheet
Synonym:
CAS:	33775-94-9

Section 1 - Chemical Product MSDS Name:1-Iodo-2-(methylthio)benzene 95+% Material Safety Data Sheet
Synonym:

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
33775-94-9	1-Iodo-2-(methylthio)benzene	95+%	unlisted

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

---

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.

---

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.

---

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.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

---

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.

---

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 33775-94-9: 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: Liquid
Color: purple
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 129 - 131 deg C @3mmHg
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: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H7IS
Molecular Weight: 250

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen iodide, iodine.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 33775-94-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Iodo-2-(methylthio)benzene - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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# 33775-94-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33775-94-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33775-94-9 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：

  2-碘茴香硫醚 在 二乙二醇单甲醚 、 氧气 、 sodium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以83%的产率得到茴香硫醚
  参考文献：
  名称：

  醇盐作为电子链还原剂通过电子催化对芳基，烯基，炔基和烷基碘进行自由基加氢碘化反应

  摘要：

  报道了一种简单有效的自由基加氢碘化方法。新颖的方法使用电子催化。将原位生成的Na-醇盐作为自由基链还原剂引入，并与廉价的引发剂O 2一起反应。加氢碘化作用作用于芳基，烯基，炔基碘化物，叔烷基碘化物也可通过该方法还原。尽管不太通用，该方法也可用于还原芳基溴化物。该新型试剂已成功用于进行典型的还原性自由基环化反应，并已报道了机理研究。

  DOI：

  10.1002/anie.201601930
• 作为产物：
  描述：

  2-溴茴香硫醚 在 copper(l) iodide 、 二乙烯三胺 、 sodium iodide 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以52%的产率得到2-碘茴香硫醚
  参考文献：
  名称：

  铜催化的基于胺的配体体系的芳族-芬克尔斯坦反应

  摘要：

  一种新型高效且低成本的配体二亚乙基三胺已被用于通过铜催化的Finkelstein卤素交换反应在温和条件下促进16种不同溴化底物的碘化。与早期方法相比，不需要使用惰性气氛条件即可获得高收率和纯度。对溶液中催化剂形态的研究表明，在二亚乙基三胺存在下，铜（I）迅速歧化，生成铜（0）和双连接铜（II）络合物，其特征在于X射线衍射。铜（二）配合物在卤素交换反应中也显示出催化活性。相反，使用二甲基乙二胺作为配体没有观察到明显歧化，并且报道了铜（I）二聚配合物和碘化铜（I）四聚体的2D聚合物网络的固态结构。比较了二亚乙基三胺和二甲基亚乙基二胺对铜（I）和铜（II）盐的催化活性，并讨论了可能的机理含义。

  DOI：

  10.1039/c7cy00538e

文献信息

• General synthesis, structure, and optical properties of benzothiophene-fused benzoheteroles containing Group 15 and 16 elements
  作者：Mio Matsumura、Atsuya Muranaka、Rina Kurihara、Misae Kanai、Kengo Yoshida、Naoki Kakusawa、Daisuke Hashizume、Masanobu Uchiyama、Shuji Yasuike

  DOI：10.1016/j.tet.2016.10.048

  日期：2016.12

  benzothieno[3,2-b]benzoheteroles containing Group 15 (N, P, As, and Sb) and Group 16 (O, S, Se, and Te) elements were synthesized by a versatile method. X-ray analyses revealed that all the tetracyclic heteroacene skeletons were planar. A linear relationship was found between the excitation energies of Group 16-heteroacenes and their atomic radius, in contrast to Group 15-heteroacenes. Density functional

  通过通用方法合成了一系列含有第15组（N，P，As和Sb）和第16组（O，S，Se和Te）元素的苯并噻吩并[3,2- b ]苯并杂环。X射线分析表明，所有的四环杂并苯骨架都是平面的。与第15族-杂蒽相比，在第16族-杂蒽的激发能和它们的原子半径之间发现线性关系。进行密度泛函理论计算和电化学测量以了解结构与光学性质之间的关系。
• 유기전기 소자용 화합물, 이를 이용한 유기전기소자 및 그 전자 장치
  申请人：DUK SAN NEOLUX CO., LTD. 덕산네오룩스 주식회사(120150011099) Corp. No ▼ 161511-0176036BRN ▼312-86-74729

  公开号：KR20160010878A

  公开（公告）日：2016-01-28

  화학식 1에 의해 표시되는 화합물이 개시된다. 또한, 제 1전극, 제 2전극 및 상기 제 1전극과 상기 제 2전극 사이의 유기물층을 포함하는 유기전기소자가 개시되며, 이때 상기 유기물층은 화학식 1로 표시되는 화합물을 포함한다. 유기물층에 화학식 1로 표시되는 화합물이 포함되면, 발광효율, 안정성 및 수명 등이 향상될 수 있다.

  化学式1所示的化合物被公开。此外，公开了一种包括第一电极、第二电极以及位于第一电极和第二电极之间的有机物层的有机电子器件，其中所述有机物层包含化学式1所示的化合物。当有机物层包含化学式1所示的化合物时，可以改善发光效率、稳定性和寿命等。
• NiFe₂O₄@SiO₂@ZrO₂/SO₄²⁻/Cu/Co nanoparticles: a novel, efficient, magnetically recyclable and bimetallic catalyst for Pd-free Suzuki, Heck and C–N cross-coupling reactions in aqueous media
  作者：Seyyedeh Ameneh Alavi G.、Mohammad Ali Nasseri、Milad Kazemnejadi、Ali Allahresani、Mahdi HussainZadeh

  DOI：10.1039/d0nj06208a

  日期：——

  The novel heterogeneous bimetallic nanoparticles of Cu–Co were synthesized based on magnetic nanoparticles, and the magnetic nanocatalyst was characterized by XRD, FE-SEM, EDX mapping, BET, TEM, HRTEM, FTIR, TGA, and VSM. This catalyst was successfully applied as a recyclable magnetically catalyst in Heck, Suzuki, and C–N cross-coupling reactions with various aryl halides (iodides, bromides, and chlorides

  以磁性纳米粒子为基础，合成了新型的Cu-Co异质双金属纳米粒子，并通过XRD，FE-SEM，EDX作图，BET，TEM，HRTEM，FTIR，TGA和VSM对磁性纳米催化剂进行了表征。该催化剂已成功地用作可回收的磁性催化剂，用于Heck，Suzuki和C–N与各种芳基卤化物（碘化物，溴化物和氯化物作为可挑战的底物），分别与烯烃，苯基硼酸和胺的交叉偶联反应中。我们考虑了催化剂中存在的不同路易斯酸和布朗斯台德酸位点所产生的协同效应。该催化剂是用廉价，可得的材料和简单的合成方法合成的。使用外部磁体可以容易地分离催化剂。对其进行了十次以上的循环使用，而其催化活性没有明显损失，并且未观察到大量的Cu和Co浸出。该方法的显着优点是通用性强，操作简单并且没有重金属和有毒溶剂。这是一种快速，简便，有效和环保的方案，在反应中不会形成副产物。这些功能使其成为合适的实用替代协议。与最近的工作相比，该催化剂的另一
• SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS
  申请人：Pfizer Inc.

  公开号：US20160244475A1

  公开（公告）日：2016-08-25

  Compounds of the general formula (I): processes for the preparation of these compounds, compositions containing these compounds, and the uses of these compounds.

  通式（I）的化合物： 制备这些化合物的方法，含有这些化合物的组合物，以及这些化合物的用途。
• [EN] ESTROGEN RECEPTOR MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE RÉCEPTEURS D'OESTROGÈNES ET LEURS UTILISATIONS
  申请人：SERAGON PHARMACEUTICALS INC

  公开号：WO2013142266A1

  公开（公告）日：2013-09-26

  Described herein are compounds that are estrogen receptor modulators. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such estrogen receptor modulators, alone and in combination with other compounds, for treating diseases or conditions that are mediated or dependent upon estrogen receptors.

  本文描述了一些雌激素受体调节剂化合物。还描述了包括本文描述的化合物在内的药物组合物和药物，以及使用这些雌激素受体调节剂的方法，单独或与其他化合物结合，用于治疗与雌激素受体介导或依赖的疾病或症状。