4,5,6,7-四氯茚满-1,3-二酮 | 30675-13-9

• 物质功能分类: 生物化工 - 抑制剂 - 泛素化抑制剂(Ubiquitin)
• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: 4,5,6,7-四氯茚满-1,3-二酮
• 英文名称: TCID
• 英文别名: 4,5,6,7-tetrachloro-1H-indene-1,3(2H)-dione；4,5,6,7-tetrachloroindene-1,3-dione
• CAS: 30675-13-9
• 化学式: C₉H₂Cl₄O₂
• mdl: MFCD00239209
• 分子量: 283.926
• InChiKey: IDLAOWFFKWRNHB-UHFFFAOYSA-N

物化性质

• 熔点：
  218-220
• 沸点：
  448.1±45.0 °C(Predicted)
• 密度：
  1.782±0.06 g/cm3(Predicted)
• 溶解度：
  溶于DMSO（高达25mg/ml），

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090
• 危险标志：
  GHS07
• 危险性描述：
  H302
• 危险性防范说明：
  P301 + P312 + P330

SDS

Name:	4 5 6 7-Tetrachloroindane-1 3-dione 95+% Material Safety Data Sheet
Synonym:
CAS:	30675-13-9

Section 1 - Chemical Product MSDS Name:4 5 6 7-Tetrachloroindane-1 3-dione 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
30675-13-9	4,5,6,7-Tetrachloroindane-1,3-dione	95+%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
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:
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
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# 30675-13-9: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 220 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: C9H2Cl4O2
Molecular Weight: 284

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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:
Hydrogen chloride, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 30675-13-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5,6,7-Tetrachloroindane-1,3-dione - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 30675-13-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 30675-13-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 30675-13-9 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

制备方法与用途

生物活性

TCID是一种DUB抑制剂，能够抑制ubiquitin C-terminal hydrolase L3（泛素C-末端水解酶L3），其IC50值为0.6 μM，并且在作用于L1时选择性高125倍。

体外研究

TCID对UCH-L3的选择性远高于对UCH-L1，具体为100多倍。实验表明，NU6027(10 μM)作用于转染的MDCK细胞内的囊泡不会促进YFP-GLT-1的积累；而LDN-57444(10 μM)则会促进其积累。此外，NU6027(10 μM)不导致GLT-1的长期溶酶体降解，相反，LDN-57444(10 μM)具有这一效应。

在脑干和脊髓原代神经元中应用TCID（10 μM），可以观察到GlyT2泛素化水平降低。当UCHL1被抑制，并且处理细胞时间更长时，这种作用更加明显。

靶点

Target	Value
UCH-L3	0.6 μM

特征

TCID对UCH-L3的选择性远高于对UCH-L1，具体为100多倍。

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	2-Benzhydryl-4,5,6,7-tetrachlor-1,3-indandion	60423-62-3	C22H12Cl4O2	450.148
  ——	4,5,6,7-tetrachloro-2-dicyanomethyleneindane-1,3-dione	147973-52-2	C12Cl4N2O2	345.956
  ——	2-Nitro-4,5,6,7-tetrachloro indane-1,3-dione	50920-05-3	C9HCl4NO4	328.923

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氯茚满-1,3-二酮 在 sodium nitrite 作用下， 生成 4,5,6,7-Tetrachloro-2-hydroxyiminoindene-1,3-dione
  参考文献：
  名称：

  Giannella; Gualtieri; Melchiorre, Farmaco, Edizione Scientifica, 1973, vol. 28, # 8, p. 597 - 610

  摘要：

  DOI：
• 作为产物：
  描述：

  四氯苯二甲酸酐 生成 4,5,6,7-四氯茚满-1,3-二酮
  参考文献：
  名称：

  Anti-allergic pharmaceutical compositions

  摘要：

  2-硝基茚并-1,3-二酮衍生物在预防和治疗哮喘、花粉热以及鼻炎方面具有用途。

  公开号：

  US03936504A1

文献信息

• NOVEL METHINE DYES
  申请人：LANXESS Deutschland GmbH

  公开号：US20190112485A1

  公开（公告）日：2019-04-18

  The present invention relates to novel methine dyes, methods for the preparation thereof and use thereof for dyeing plastics, especially polyamides, so as to obtain yellow to orange colourings with improved light fastness and improved thermal stability.

  本发明涉及新型甲纶染料，其制备方法和用于染色塑料，特别是聚酰胺，以获得改善光牢度和热稳定性的黄色至橙色着色剂。
• Cyclopropanation of active methylene compounds with β-alkoxycarbonyl vinylsulfonium salts
  作者：Shenquan Guo、Niuniu Zhang、Xiangzheng Tang、Zhifeng Mao、Xuejing Zhang、Ming Yan、Yining Xuan

  DOI：10.1016/j.cclet.2018.08.021

  日期：2019.2

  Abstract An efficient synthesis of β-alkoxycarbonyl vinylsulfonium salts had been developed. Their reaction with indene-1,3-diones and other active methylene compounds provided cyclopropane carboxylates in good yields. A tentative reaction mechanism was proposed.

  摘要研究了一种高效合成β-烷氧基羰基乙烯基salts盐的方法。它们与茚-1，3-二酮和其他活性亚甲基化合物的反应以良好的收率提供了环丙烷羧酸酯。提出了一种初步的反应机理。
• Merocyanine Dyes with Extended Polymethine Chains by Simple Two-Step Condensation Sequence
  作者：Frank Würthner、Alhama Arjona-Esteban、Anja Rausch、Myroslav O. Vysotsky

  DOI：10.1055/s-0040-1707896

  日期：2021.1

  containing a bridge with three conjugated double bonds. This method consists of two successive condensation reactions. The first one is made between CH-acidic indane-1,3-dione acceptor units and an appropriate ketone (here acetone or hexan-2-one). The extended acceptor thus obtained is condensed with an aldehyde in the next step. The dyes show high tinctorial strength due to intense absorption bands at

  作为特殊功能有机分子的一部分发布 抽象 我们描述了一种合成花青染料的合成方法，该染料含有带有三个共轭双键的桥。该方法由两个连续的缩合反应组成。第一个是在CH酸性茚满-1,3-二酮受体单元和适当的酮（此处为丙酮或己二酮）之间制备的。在下一步中将由此获得的延伸的受体与醛缩合。由于在500至750 nm之间的波长处有很强的吸收带，因此染料具有高着色力。
• Pharmaceutical compositions and method of treating allergic conditions
  申请人：Beecham Group Limited

  公开号：US03978231A1

  公开（公告）日：1976-08-31

  Compositions containing 2-nitroindane-1,3-dione derivatives as active agents are useful in the prophylaxis and treatment of asthma, hayfever and also in the treatment of rhinitis.

  含有2-硝基茚-1,3-二酮衍生物作为活性成分的复合物在哮喘、花粉症的预防和治疗以及鼻炎的治疗中有用。
• Pharmaceutical compositions and methods of treating allergic conditions
  申请人：Beecham Group Limited

  公开号：US03988476A1

  公开（公告）日：1976-10-26

  Compositions containing 2-nitroindane-1,3-dione derivatives as active agents are useful in the prophylaxis and treatment of asthma, hay fever and also in the treatment of rhinitis.

  含有2-硝基茚-1,3-二酮衍生物作为活性成分的组合物在哮喘、花粉症的预防和治疗以及鼻炎的治疗中具有用处。