1-(4-碘苯基)-1H-吡咯-2-甲醛 - CAS号 261178-18-1

物化性质

熔点：

98 °C

计算性质

辛醇/水分配系数(LogP)：

2.8
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：

22
氢给体数：

0
氢受体数：

1

安全信息

安全说明：

S24/25
海关编码：

2933990090

SDS

SDS：f734caf6954014c06471914063b4e0ae

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Name:	1-(4-Iodophenyl)-1H-pyrrole-2-carbaldehyde TECH Material Safety Data Sheet
Synonym:	None Known
CAS:	261178-18-1

Section 1 - Chemical Product MSDS Name:1-(4-Iodophenyl)-1H-pyrrole-2-carbaldehyde TECH Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
261178-18-1	1-(4-Iodophenyl)-1H-pyrrole-2-carbalde	100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
No information found.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 261178-18-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: 97 - 99 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: C11H8INO
Molecular Weight: 297.09

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Amines, strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide, iodine.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 261178-18-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Iodophenyl)-1H-pyrrole-2-carbaldehyde - 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: Not Regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not Regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not Regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
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.
WGK (Water Danger/Protection)
CAS# 261178-18-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 261178-18-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 261178-18-1 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：

1-(4-碘苯基)-1H-吡咯-2-甲醛在 bis-triphenylphosphine-palladium(II) chloride 、 potassium carbonate 、三乙胺作用下，以 1,2-二氯乙烷、 N,N-二甲基甲酰胺为溶剂，反应 7.0h，生成

参考文献：

名称：

一种具有有机胺类化合物荧光识别性能的吡咯化合物及其制备方法

摘要：

本发明属于有机荧光识别探针材料技术领域，具体涉及一种具有有机胺类化合物荧光识别性能的吡咯化合物及其制备方法，本发明公开了一种吡咯化合物，所述吡咯化合物包括吡咯功能化噻吩化合物和/或吡咯功能化苯环化合物，所述吡咯功能化噻吩化合物的结构如式(1)所示，所述吡咯功能化苯环化合物的结构如式(2)所示，该吡咯化合物通过自身具有的强荧光性质，连接双取代烯烃结构单元，从而增加反应活性基团且突出其荧光色差性能，具有有机胺类化合物荧光识别性能，将其掺杂进入聚二甲氧硅氧烷膜，能作为荧光探针识别一级胺、二级胺和三级胺，并可应用于制备荧光传感器、荧光材料、光学器件，以及应用于生物成像领域等，具有较好的应用前景。

公开号：

CN114605398A
作为产物：

描述：

2-吡咯甲醛、 1,4-二碘苯在 copper diacetate 、 caesium carbonate 作用下，以 N,N-二甲基甲酰胺为溶剂，反应 12.0h，以60%的产率得到1-(4-碘苯基)-1H-吡咯-2-甲醛

参考文献：

名称：

基于氟化吡咯官能化三苯胺的肼和 MCL 发光体的高选择性视觉纸基检测器

摘要：

便携式荧光检测器的实用性引起了广泛关注。在此，通过将吡咯/氟化吡咯与三苯胺高产率整合，获得了一系列发光体。通过改变吡咯环上的 F 和 CN 取代基来改变发射性能。具有醛基取代的吡咯的化合物TPACHO和TPAFCHO表现出显着的机械致变色发光 (MCL) 行为和典型的 AIEE 特性。化合物TPA2CN和TPA2FCN可以高效检测液态和气态水合肼，并且可以通过视觉上清晰的黄色/橙色到蓝色的发光颜色切换来实现纸基检测。肼的最低可检测浓度为 10 mM。此外，TPA2CN对人鼻咽肿瘤细胞（CNE1）表现出良好的抑制活性，在肿瘤细胞检测和生物细胞监测方面具有应用前景。因此，这种功能化纸可用作高度选择性鉴别水合肼的试纸。

DOI：

10.1039/d1nj03642d

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文献信息

Thermochromic and highly tunable color emitting bis-tolane based liquid crystal materials for temperature sensing devices

作者：Majeed Irfan、Idrees Sumra、Mei Zhang、Zicun Song、Tingting Liu、Zhuo Zeng

DOI：10.1016/j.dyepig.2021.109272

日期：2021.6

2Br–CN–N(Ph)2. Furthermore, the thermochromic behavior of these LLCs compounds has been explored, especially CN–N(Ph)2, its reddish orange emission changed to blue at 240 °C–250 °C in pure state, while in dimethyl silicone polymer (PDMS) film, it switched to blue at 200 °C and completely vanished at 240 °C. These simple and highly emissive compounds display outstanding thermochromic properties above 200 °C

合成了基于D-π-A系统的发光化合物，该化合物由取代的吡咯作为受体，π共轭双-tolane和-OMe，-N（CH 3）2，-N（Ph）2 作为末端供体组成。加热时，取决于受体单元上的供体基团和取代基，所有化合物均表现出不同的介晶行为。这些发光液晶在固体状态和溶液状态下均显示出从蓝，绿到红橙色的发射光，并具有很高的量子效率。我们发现了很少报道的吡咯和乙炔键的α位上的Br之间的三元环相互作用及其通过单晶结构对发光效率的影响。2Br–CN–N（CH 3）2和2Br–CN–N（Ph）2。此外，还研究了这些LLCs化合物的热致变色行为，尤其是CN–N（Ph）2，其纯橙色在240°C–250°C时呈红橙色发射变为蓝色，而在二甲基硅氧烷聚合物（PDMS）膜中，在200°C时变为蓝色，而在240°C时完全消失。这些简单且高发射率的化合物在200°C以上显示出出色的热致变色特性，因此对于高温传感设备具有巨大的潜力。
Stereoselective synthesis of E, E / E, Z isomers based on 1-(4- iodophenyl)-2,5-divinyl-1H-pyrrole core skeleton: A configuration-controlled fluorescence characteristics and highly selective anti-cancer activity

作者：Majeed Irfan、Rong Deng、Idrees Sumra、Xiao-Feng Zhu、Tingting Liu、Zhuo Zeng

DOI：10.1016/j.dyepig.2020.108733

日期：2021.1

The E and Z isomeric intermediates based on ethyl/methyl-2-cyano-3-(5-formyl-1-(4-iodo-phenyl)-1H-pyrrol-2-yl)acrylate have been synthesized and these intermediates (E or Z) were further stereo-selectively converted into their respective E, E or E, Z isomers of diethyl/dimethyl-3,3'-(1-(4-iodophenyl)-1H-pyrrole-2,5-diyl)bis (2-cyanoacrylate) at the first time. The E, E isomers of both 2a and 3a, in

合成了基于乙基/甲基-2-氰基-3-（5-甲酰基-1-（4-碘-苯基）-1H-吡咯-2-基）丙烯酸酯的E和Z异构中间体，这些中间体（E或Z）进一步立体选择性地转化为二乙基/二甲基-3,3'-（1-（4-碘苯基）-1H-吡咯-2,5-二基）双的各自的E，E或E，Z异构体（2-氰基丙烯酸酯）。与E，Z异构体相比，固态的2a和3a的E，E异构体显示出更高的量子效率和更长的荧光寿命。值得注意的是，E，E异构体被证明是更好的AIE，而2a的E，Z异构体对人鼻咽癌具有显着的抗癌活性。首先开发了一种简单明了的策略，以利用构型对荧光和抗癌活性的影响。
CN116082210

申请人：——

公开号：——

公开（公告）日：——

1-(4-碘苯基)-1H-吡咯-2-甲醛 | 261178-18-1

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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