3,5-二氯-1,2,4-噻二唑 | 2254-88-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 3,5-二氯-1,2,4-噻二唑
• 中文别名: 3,5-二氯-1,2,4-噻重氮
• 英文名称: 3,5-dichloro-[1,2,4]thiadiazole
• 英文别名: 3,5-Dichlor-1,2,4-thiadiazol；3,5-Dichloro-1,2,4-thiadiazole
• CAS: 2254-88-8
• 化学式: C₂Cl₂N₂S
• mdl: MFCD00799286
• 分子量: 155.007
• InChiKey: CEUHPOVLEQUFCC-UHFFFAOYSA-N

物化性质

• 熔点：
  -4 °C
• 沸点：
  165-167 °C
• 密度：
  1.729 (estimate)
• 稳定性/保质期：
  避免与氧化物和强碱接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26,S36/37/39
• 储存条件：
  请将容器密封后，存放在干燥且阴凉的地方，并使用紧密的储存器以确保安全。

SDS

Name:	3 5-Dichloro-1 2 4-thidiazole 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	2254-88-8

Section 1 - Chemical Product MSDS Name:3 5-Dichloro-1 2 4-thidiazole 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
2254-88-8	3,5-Dichloro-1,2,4-thiadiazole	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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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.

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use carbon dioxide or dry chemical.

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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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
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.
Store protected from moisture.

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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# 2254-88-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: clear colorless to light yellow
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 165 - 167 deg C @760mmHg
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:
Solubility in water: slightly soluble
Specific Gravity/Density:
Molecular Formula: C2Cl2N2S
Molecular Weight: 155.01

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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, moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 2254-88-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Dichloro-1,2,4-thiadiazole - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 2254-88-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2254-88-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2254-88-8 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：

  3,5-二氯-1,2,4-噻二唑 在 氨 作用下， 以 1,4-二氧六环 为溶剂， 生成 3-氯-1,2,4-噻二唑-5-胺
  参考文献：
  名称：

  WO2007/140233

  摘要：

  公开号：
• 作为产物：
  描述：

  3-tert-butylsulfanyl-4H-[1,2,4]thiadiazole-5-thione 在 氯 作用下， 以 溶剂黄146 为溶剂， 生成 3,5-二氯-1,2,4-噻二唑
  参考文献：
  名称：

  Goerdeler,J.; El Tom,I., Chemische Berichte, 1965, vol. 98, p. 1544 - 1555

  摘要：

  DOI：
• 作为试剂：
  描述：

  (2S,4R)-methyl 4-(2-chlorophenylsulfonyl)pyrrolidine-2-carboxylate 、 3,5-二氯-1,2,4-噻二唑 在 3,5-二氯-1,2,4-噻二唑 作用下， 反应 48.0h， 以2254-88-8) in a shaking reactor at 55° C. for 48 h to give the title compound as red oil的产率得到(2S,4R)-4-(2-Chloro-benzenesulfonyl)-1-(3-chloro-[1,2,4]thiadiazol-5-yl)-pyrrolidine-2-carboxylic Acid Methyl Ester
  参考文献：
  名称：

  Proline derivatives

  摘要：

  本发明涉及一种式为(I)的化合物，其中A，R1-R6在说明书和权利要求书中定义。式(I)化合物可用作药物。

  公开号：

  US08163793B2

文献信息

• [EN] AZOLE COMPOUNDS AS PIM INHIBITORS<br/>[FR] COMPOSÉS D'AZOLE UTILISÉS EN TANT QU'INHIBITEURS DES PIM
  申请人：AMGEN INC

  公开号：WO2012129338A1

  公开（公告）日：2012-09-27

  The invention relates to bicyclic compounds of formulas I and Ia, and salts thereof. In some embodiments, the invention relates to inhibitors or modulators of Pim-1 and/or Pim-2, and/or Pim-3 protein kinase activity or enzyme function. In still further embodiments, the invention relates to pharmaceutical compositions comprising compounds disclosed herein, and their use in the prevention and treatment of Pim kinase related conditions and diseases, preferably cancer.

  该发明涉及公式I和Ia的双环化合物及其盐。在某些实施例中，该发明涉及Pim-1和/或Pim-2和/或Pim-3蛋白激酶活性或酶功能的抑制剂或调节剂。在更进一步的实施例中，该发明涉及包含本文所披露的化合物的药物组合物，以及它们在预防和治疗Pim激酶相关疾病和病症，尤其是癌症中的用途。
• 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases
  申请人：Griffioen Gerard

  公开号：US20140128404A1

  公开（公告）日：2014-05-08

  The present invention relates to a compound of formula (IA) The present invention also relates to the use of the compound of formula IA for treating certain neurodegenerative disorders characterized by cytotoxic TAU misfolding and/or aggregation.

  本发明涉及一种化合物的公式（IA）。本发明还涉及利用公式IA化合物治疗由细胞毒性TAU错误折叠和/或聚集特征的某些神经退行性疾病。
• [EN] COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS<br/>[FR] AGENTS PHARMACEUTIQUES EN COMBINAISON EN TANT QU'INHIBITEURS DE RSV
  申请人：ENANTA PHARM INC

  公开号：WO2019067864A1

  公开（公告）日：2019-04-04

  The present invention relates to pharmaceutical agents administered to a subject either in combination or in series for the treatment of a Respiratory Syncytial Virus (RSV) infection, wherein treatment comprises administering a compound effective to inhibit the function of the RSV and an additional compound or combinations of compounds having anti-RSV activity.

  本发明涉及用于治疗呼吸道合胞病毒（RSV）感染的药物剂，该药物剂可以单独或连续给予受试者，治疗包括给予一种有效抑制RSV功能的化合物以及具有抗RSV活性的另一种化合物或化合物组合。
• ANTIBACTERIAL COMPOUNDS
  申请人：PALMER James T.

  公开号：US20120088750A1

  公开（公告）日：2012-04-12

  The present invention provides a compound of the following formula and salts thereof: Also provided is the use of these compounds as antibacterials, compositions comprising them and processes for their manufacture.

  本发明提供了一种具有以下公式和其盐类的化合物： 还提供了这些化合物作为抗生素的使用，包括它们的组合物以及它们的制造工艺。
• Synthesis, structure and <i>in vitro</i> antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives
  作者：Mohammed Boulhaoua、Tibor Pasinszki、Ana Torvisco、Rita Oláh-Szabó、Szilvia Bősze、Antal Csámpai

  DOI：10.1039/d1ra05095h

  日期：——

  Fourteen 1,2,4-thiadiazole derivatives were synthesized and structurally characterized; their in vitro antiproliferative activities were evaluated on four tumorous cell lines (U87, A2058, A431, and HepG2).

  十四种1,2,4-噻二唑衍生物被合成并进行结构表征；它们的体外抗增殖活性在四种肿瘤细胞系（U87、A2058、A431和HepG2）上进行了评估。