4-碘-2,1,3-苯并噻二唑 | 352018-95-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 中文名称: 4-碘-2,1,3-苯并噻二唑
• 英文名称: 4-iodobenzo[c][1,2,5]thiadiazole
• 英文别名: 4-iodo-[2,1,3]-benzothiadiazole；4-Iodo-2,1,3-benzothiadiazole
• CAS: 352018-95-2
• 化学式: C₆H₃IN₂S
• mdl: MFCD02681904
• 分子量: 262.074
• InChiKey: ROPRWVSWECJQIC-UHFFFAOYSA-N

物化性质

• 熔点：
  96 °C
• 沸点：
  298.2±13.0 °C(Predicted)
• 密度：
  2.156±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• 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

• 危险品标志：
  C
• 安全说明：
  S24/25
• 海关编码：
  2934999090

SDS

Name:	4-Iodo-2 1 3-benzothiadiazole 97% Material Safety Data Sheet
Synonym:
CAS:	352018-95-2

Section 1 - Chemical Product MSDS Name:4-Iodo-2 1 3-benzothiadiazole 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
352018-95-2	4-Iodo-2,1,3-benzothiadiazole	97%	unlisted

Hazard Symbols: C
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.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 352018-95-2: 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: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90 - 92 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: C6H3IN2S
Molecular Weight: 262.07

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 352018-95-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Iodo-2,1,3-benzothiadiazole - 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: C
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 352018-95-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 352018-95-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 352018-95-2 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：

  2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-boronic acid 、 4-碘-2,1,3-苯并噻二唑 在 tris-(dibenzylideneacetone)dipalladium(0) 、 tri tert-butylphosphoniumtetrafluoroborate potassium fluoride 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以11%的产率得到4-[2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-benzo[2,1,3]thiadiazole
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS
  [FR] DERIVES PYRAZOLO CONDENSES

  摘要：

  目前的发明涉及以下式(Ia)的化合物及其药用盐，以及它们作为TGF-beta信号传导抑制剂用于治疗患有癌症和其他疾病的患者的用途，通过给予这些化合物进行治疗。

  公开号：

  WO2004050659A1
• 作为产物：
  描述：

  2,1,3-苯并噻二唑 在 bis(2,2,6,6-tetramethylpiperidin-1-yl)magnesium-bis(lithium chloride) complex 、 碘 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 以85%的产率得到4-碘-2,1,3-苯并噻二唑
  参考文献：
  名称：

  Functionalization of the Benzo[c][1,2,5]thiadiazole Scaffold via Mg-, Zn- and Mn-Intermediates

  摘要：

  通过使用LiCl可溶化的TMP基，证明了在不同底物上对苯并[c][1,2,5]噻二唑骨架所有位置进行金属化。因此，已经制备了不对称取代的苯并噻二唑衍生物和一种新的融合噻二唑并吲唑化合物。

  DOI：

  10.1055/s-0030-1259966

文献信息

• [EN] BENZO[1,2,5]OXADIAZOLES AND BENZO [1,2,5]THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS<br/>[FR] BENZO[1,2,5]OXADIAZOLES ET BENZO [1,2,5]THIADIAZOLES UTILISES COMME AGENTS DE COLORATION HISTOPATHOLOGIGUE, AGENTS D'IMAGERIE ET BIOMARQUEURS
  申请人：NOVARTIS AG

  公开号：WO2004087684A1

  公开（公告）日：2004-10-14

  The present invention relates to novel benzo[1,2,5]oxadiazoles and benzo[1,2,5]thiadiazoles of formula (I) wherein X is O or S, R1 is 5-(2-fluoro-ethylamino)-thiazol-2-yl, 5-(2-18F-ethylamino)- thiazol-2-yl or a group of formula (a) wherein Y is CH or N, R2 is NHCH3, NH11CH3, N(CH3)11CH3, N(CH3)2, N(11CH3)2, NH(CH2)nF, NH(CH2)n18F, N(CH3)­(CH2)nF, N(CH3)-(CH2)n 18F, O-(CH2)nF, O-(CH2)n 18F, CONH(CH2)nF or CONH(CH2)n18F (n being in each case 2 to 4) and R3 is hydroxy, (C1-4)alkoxy, hydrogen or nitro, in free base or acid addition salt form; their preparation, their use as markers in diagnosis and compositions containing them.

  本发明涉及新型苯并[1,2,5]噁二唑和苯并[1,2,5]噻二唑，其化学式为(I)，其中X为O或S，R1为5-(2-氟乙基氨基)-噻唑-2-基、5-(2-18F-乙基氨基)-噻唑-2-基或具有化学式(a)的基团，其中Y为CH或N，R2为NHCH3、NH11CH3、N(CH3)11CH3、N(CH3)2、N(11CH3)2、NH(CH2)nF、NH(CH2)n18F、N(CH3)(CH2)nF、N(CH3)-(CH2)n 18F、O-(CH2)nF、O-(CH2)n 18F、CONH(CH2)nF或CONH(CH2)n18F（其中n分别为2至4），R3为羟基、(C1-4)烷氧基、氢或硝基，以游离碱或盐酸盐的形式存在；其制备方法，作为诊断标记物的用途以及含有它们的组合物。
• Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers
  申请人：Auberson Yves

  公开号：US20060093551A1

  公开（公告）日：2006-05-04

  The present invention relates to novel benzo[1,2,5]oxadiazoles and benzo[1,2,5]thiadiazoles of formula (I) wherein X is O or S, R 1 is 5-(2-fluoro-ethylamino)-thiazol-2-yl, 5-(2- 18 F-ethylamino)-thiazol-2-yl or a group of formula (a) wherein Y is CH or N, R 2 is NHCH 3 , NH 11 CH 3 , N(CH 3 ) 11 CH 3 , N(CH 3 ) 2 , N( 11 CH 3 ) 2 , NH(CH 2 ) n F, NH(CH 2 ) n 18 F, N(CH 3 )(CH 2 ) n F, N(CH 3 )—(CH 2 ) n 18 F, O—(CH 2 ) n F, O—(CH 2 ) n 18 F, CONH(CH 2 )nF or CONH(CH 2 ) n 18 F (n being in each case 2 to 4) and R 3 is hydroxy, (C1-4)alkoxy, hydrogen or nitro, in free base or acid addition salt form; their preparation, their use as markers in diagnosis and compositions containing them.

  本发明涉及一种新型苯并[1,2,5]噁二唑和苯并[1,2,5]噻二唑的化合物，其化学式为（I），其中X为O或S，R1为5-(2-氟乙基氨基)噻唑-2-基、5-(2-18F-乙基氨基)噻唑-2-基或式（a）中的基团，其中Y为CH或N，R2为NHCH3、NH11CH3、N(CH3)11CH3、N(CH3)2、N(11CH3)2、NH(CH2)nF、NH(CH2)n18F、N(CH3)(CH2)nF、N(CH3)-(CH2)n18F、O-(CH2)nF、O-(CH2)n18F、CONH(CH2)nF或CONH(CH2)n18F（其中n在每种情况下均为2至4），R3为羟基、（C1-4）烷氧基、氢或硝基，以自由碱或酸盐的形式存在；本发明还涉及它们的制备、它们在诊断中的标记用途以及含有它们的组合物。
• Novel compounds as pharmaceutical agents
  申请人：Beight Wade Douglas

  公开号：US20060058295A1

  公开（公告）日：2006-03-16

  The current invention relates to compounds of the formula: (Ia) and the pharmaceutically acceptable salts thereof and their use as TGF-beta signal transduction inhibitors for treating cancer and other diseases in a patient in need thereof by administration of said compounds.

  本发明涉及以下化合物的公式：（Ia），以及其药学上可接受的盐，并通过给予该化合物的途径将其用作TGF-beta信号转导抑制剂，以治疗患有癌症和其他疾病的患者。
• Compounds as pharmaceutical agents
  申请人：Eli Lilly and Company

  公开号：US07405299B2

  公开（公告）日：2008-07-29

  The current invention relates to compounds of the formula: (Ia) and the pharmaceutically acceptable salts thereof and their use as TGF-beta signal transduction inhibitors for treating cancer and other diseases in a patient in need thereof by administration of said compounds.

  本发明涉及公式（Ia）的化合物及其药学上可接受的盐，并且通过给患者使用这些化合物，作为TGF-beta信号转导抑制剂来治疗癌症和其他疾病。
• Sorting of carbon nanotubes
  申请人：BASF SE

  公开号：US10388881B2

  公开（公告）日：2019-08-20

  Provided is a process for preparing a composition comprising semiconducting single-walled carbon nanotubes, a semiconducting polymer and solvent A (composition A), which process comprises the step of separating composition A from a composition comprising semiconducting and metallic single-walled carbon nanotubes, the semiconducting polymer and solvent B (composition B), wherein the semiconducting polymer has a band gap in the range of 0.5 to 1.8 eV and solvent A and B comprise an aromatic or a heteroaromatic solvent, composition A itself, a process for forming an electronic device, which process comprises the step of forming a layer by applying composition A to a precursor of the electronic device, as well as the electronic device obtainable by this process.

  提供了一种制备包含半导体单壁碳纳米管、半导体聚合物和溶剂 A 的组合物（组合物 A）的工艺，该工艺包括将组合物 A 从包含半导体和金属单壁碳纳米管、半导体聚合物和溶剂 B 的组合物（组合物 B）中分离出来的步骤，其中半导体聚合物的带隙在 0.其中，半导体聚合物的带隙在 0.5 至 1.8 eV 范围内，溶剂 A 和 B 包括芳香族或杂芳族溶剂、组合物 A 本身、形成电子装置的工艺（该工艺包括通过将组合物 A 涂在电子装置的前体上形成层的步骤）以及通过该工艺获得的电子装置。