1-(3,5-二氯苯基)-1H-吡咯-2-甲醛 | 175136-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 中文名称: 1-(3,5-二氯苯基)-1H-吡咯-2-甲醛
• 英文名称: 1-(3,5-dichloro-phenyl)-1H-pyrrole-2-carbaldehyde
• 英文别名: N-(3,5-dichlorophenyl)pyrrole-2-carboxaldehyde；1-(3,5-dichlorophenyl)-1H-pyrrole-2-carbaldehyde；1-(3,5-dichlorophenyl)pyrrole-2-carbaldehyde
• CAS: 175136-79-5
• 化学式: C₁₁H₇Cl₂NO
• mdl: MFCD00174281
• 分子量: 240.089
• InChiKey: GNBDQGBCNPLAQK-UHFFFAOYSA-N

物化性质

• 沸点：
  384.3±37.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 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

Name:	1-(3 5-Dichlorophenyl)-1H-pyrrole-2-carbaldehyde tech Material Safety Data Sheet
Synonym:	1-(3,5-Dichlorophenyl)pyrrole-2-carboxaldehyd
CAS:	175136-79-5

Section 1 - Chemical Product MSDS Name:1-(3 5-Dichlorophenyl)-1H-pyrrole-2-carbaldehyde tech Material Safety Data Sheet
Synonym:1-(3,5-Dichlorophenyl)pyrrole-2-carboxaldehyd

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175136-79-5	1-(3,5-Dichlorophenyl)-1H-pyrrole-2-ca		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.
Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 175136-79-5: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 153 - 155 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: C11H7Cl2NO
Molecular Weight: 240

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175136-79-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3,5-Dichlorophenyl)-1H-pyrrole-2-carbaldehyde - 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# 175136-79-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175136-79-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175136-79-5 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：

  1-(3,5-二氯苯基)-1H-吡咯-2-甲醛 、 N-methyl-2-oxoindoline-5-carboxamide 在 哌啶 作用下， 以 乙醇 为溶剂， 生成 3-[[1-(3,5-dichlorophenyl)pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-carboxamide
  参考文献：
  名称：

  Compounds derived from oxindoles and their therapeutic application in cancer treatment

  摘要：

  本发明涉及式(I)的化合物，其中R5选自以下组：2其中R2是C1-C3烷基，X可以是Cl、Br或F，n在1到3之间，在E或Z形式中，或两种异构体形式的混合物，通过抑制tubulin聚合成微管的作用具有抗有丝分裂、抗增殖和抗血管作用。

  公开号：

  US20040082645A1

文献信息

• Substituted 1, 4-thiazepine and analogs as activators of caspases and inducers of apoptosis and the use thereof
  申请人：Cytovia, Inc.

  公开号：US20020010169A1

  公开（公告）日：2002-01-24

  The present invention is directed to substituted 1,4-thiazepine and analogs thereof, represented by the general Formula I: 1 wherein the dashed lines, A 1 , A 2 , A 3 , X 1 and R 1 are defined herein. The present invention also relates to the discovery that compounds having Formula I are activators of capases and inducers of apoptosis. Therefore, the activators of caspases and inducers of apoptosis of this invention can be used to induce cell death in a variety of clinical conditions in which uncontrolled growth and spread of abnormal cells occurs.

  本发明涉及被一般式I表示的取代的1,4-噻吩和其类似物，其中虚线、A1、A2、A3、X1和R1在此处被定义。本发明还涉及发现具有式I的化合物是卡泊酶激活剂和凋亡诱导剂。因此，本发明的卡泊酶激活剂和凋亡诱导剂可用于诱导在各种临床病况中发生细胞死亡，其中异常细胞的不受控制的生长和扩散。
• Synthesis and structural characterization of novel <i>O</i>-substituted phenolic and chalcone derivatives with antioxidant activity
  作者：Bathélémy Ngameni、Musa Erdoğan、Victor Kuete、Erdin Dalkılıç、Bonaventure T Ngadjui、Arif Daştan

  DOI：10.1177/1747519820932789

  日期：2021.1

  A series of novel 4-O-alkyltriazolylphenolic derivatives is first synthesized with good to excellent yields via the click reaction of 3-methoxy-4-O-propargylbenzaldehyde or 3-allyl-4-O-propargylace...

  通过3-甲氧基-4-O-炔丙基苯甲醛或3-烯丙基-4-O-炔丙基苯甲醛的点击反应，首次合成了一系列新型4-O-烷基三唑基酚类衍生物，收率良好至极好。
• Synthesis and antitumor activity of novel 2-amino-4-(3,5,5-trimethyl-2-pyrazolino)-1,3,5-triazine derivatives
  作者：Z Brzozowski、F Sączewski

  DOI：10.1016/s0223-5234(02)01379-x

  日期：2002.9

  The syntheses and antitumor activities of novel 2-amino-4-(3,5,5-trimethyl-2-pyrazolino)-1,3,5-triazine derivatives 4-38 are described. All the compounds prepared were screened at the National Cancer Institute (NCI) for their activities against a panel of 60 tumor cell lines and relationships between structure and antitumor activity in vitro are discussed. The triazines 11, 16, 20, 23, 23 and 34-38 exhibited modest or fairly high activity against one or more human tumor cell lines. Prominent compound with remarkable activity (log G150, < - 8.00- -5.00) to all investigated cell lines and highly potent (log G150. < - 8.00- -7.64) against some cell lines of Leukemia (CCRF-CEM, K-562, RPMI-8226, SR), CNS Cancer (SF-539) and Breast Cancer (T-47D) was 2-[2-amino-4-(3,5,5-trimethyl-2-pyrazolino)-1,3,5-triazin-6-yl]-3-(5-nitro-2-thienyl)acrylonitrile (25). (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.
• US6861419B2
  申请人：——

  公开号：US6861419B2

  公开（公告）日：2005-03-01
• [EN] AZAOXINDOLE DERIVATIVES<br/>[FR] AZAOXINDOLE, DERIVES ET APPLICATIONS
  申请人：GLAXO GROUP LIMITED

  公开号：WO1999021859A1

  公开（公告）日：1999-05-06

  (EN) Compounds of formula (I) where R1 is optionally substituted phenyl or an optionally substituted phenyl or an optionally substituted heterocyclic ring selected from pyrrole, furan, thiophene, pyrazole or indole are useful as protein kinase inhibitors in diseases characterized by cellular proliferation.(FR) Cette invention concerne des composés de formule (I) dans laquelle R1 représente phényle facultativement substitué ou bien un anneau phényle ou un anneau hétérocyclique facultativement substitué sélectionné dans le groupe formé par: pyrrole, furanne, thiophène, pyrazole ou indole. Ces composés sont utiles en tant qu'inhibiteurs de protéines kinases dans des maladies caractérisées par la prolifération cellulaire.