4-溴-2-氯噻吩 | 32431-93-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 噻吩类化合物
• 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: 4-溴-2-氯噻吩
• 英文名称: 4-bromo-2-chlorothiophene
• 英文别名: 4-Brom-2-chlorthiophen
• CAS: 32431-93-9
• 化学式: C₄H₂BrClS
• mdl: MFCD00043884
• 分子量: 197.483
• InChiKey: FEDTVFXCDOSSOK-UHFFFAOYSA-N

物化性质

• 沸点：
  67-69 °C(Press: 9 Torr)
• 密度：
  1.844±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 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：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  室温

SDS

Name:	4-Bromo-2-chlorothiophene 95% Material Safety Data Sheet
Synonym:
CAS:	32431-93-9

Section 1 - Chemical Product MSDS Name:4-Bromo-2-chlorothiophene 95% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32431-93-9	4-Bromo-2-chlorothiophene, 95%	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
The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation.

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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 lids.
Skin:
Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do NOT induce vomiting. Allow the victim to rinse his mouth and then to drink 2-4 cupfuls of water, and seek medical advice.
Inhalation:
Remove from exposure 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Autoignition Temperature: Not available.
Flash Point: Not available.
NFPA Rating: Not published.
Explosion Limits, Lower: Not available.
Upper: Not available.

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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., dry sand or earth), then place into a chemical waste container. Clean up spills immediately, observing precautions in the Protective Equipment section.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Wear a NIOSH/MSHA-approved (or equivalent) full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Not available.
Appearance: clear slight brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Vapor Density: Not available.
Evaporation Rate: Not available.
Viscosity: Not available.
Boiling Point: 191 deg C
Freezing/Melting Point: 0 deg C
Decomposition Temperature: Not available.
Solubility: < 0.2 g/l (20 c)
Specific Gravity/Density: 1.8170g/cm3
Molecular Formula: C4H2BrClS
Molecular Weight: 197.47

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 32431-93-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromo-2-chlorothiophene, 95% - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA.
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION
For further information, contact Fisher Scientific.

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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

CDG/CPL
IMO
Not regulated as a hazardous material.
IATA
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Canadian TDG
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# 32431-93-9:
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
WHMIS: Not available.
CAS# 32431-93-9 is not listed on Canada's Ingredient Disclosure List.
Exposure Limits
US FEDERAL
TSCA
CAS# 32431-93-9 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

反应信息

• 作为反应物：
  描述：

  4-溴-2-氯噻吩 生成 3-溴-5-氯噻酚-2-磺酰氯
  参考文献：
  名称：

  [EN] NOVEL PROCESS
  [FR] NOUVEAU PROCEDE

  摘要：

  本发明涉及制备药物活性的融合型1,2,4-噻二嗪衍生物的新工艺，其通式为（I），如描述中所定义，以及其中间体。

  公开号：

  WO2001002410A1
• 作为产物：
  描述：

  4-Brom-[2]thienyllithium 在 六氯乙烷 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 0.5h， 生成 4-溴-2-氯噻吩
  参考文献：
  名称：

  [EN] THIENYL COMPOUNDS
  [FR] COMPOSES DE THIENYLE

  摘要：

  公式I的化合物及其药用盐，其中Ar和R如规范中定义，含有这种化合物的组合物以及这些化合物和组合物在治疗中的用途。

  公开号：

  WO2003087103A1

文献信息

• Halothenoyl-cyclopropane-1-carboxylic acid derivatives
  申请人：Newron Pharmaceuticals S.p.A.

  公开号：EP1424333A1

  公开（公告）日：2004-06-02

  Compounds of formula (I) wherein R is hydroxy, linear or branched C1-C6 alkoxy, phenoxy, benzyloxy, a group -N(R1R2) wherein R1 is hydrogen, linear or branched C1-C4 alkyl, benzyl, phenyl and R2 is hydrogen or linear or branched C1-C4 alkyl, or R is a glycoside residue or a primary alkoxy residue from ascorbic acid, optionally having one or more hydroxy groups alkylated or acylated by linear or branched C1-C4 alkyl or acyl groups; X is a halogen atom and n 1 or 2 are long lasting inhibitors of kynurenine 3-monooxygenase (KMO) and potent glutamate (GLU) release inhibitors.

  公式(I)的化合物 其中 R是羟基，线性或支链C1-C6烷氧基，苯氧基，苄氧基，-N(R1R2)基团，其中R1是氢，线性或支链C1-C4烷基，苄基，苯基，R2是氢或线性或支链C1-C4烷基，或者R是糖苷残基或来自抗坏血酸的初级烷氧基残基，可以选择性地有一个或多个被线性或支链C1-C4烷基或酰基烷基化或酰化的羟基； X是卤素原子，n为1或2，是持久的犬尿氨酸3-单加氧酶(KMO)抑制剂和强效的谷氨酸(GLU)释放抑制剂。
• [EN] 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE<br/>[FR] COMPOSÉS DE 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDÈNE)ACÉTAMIDE ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：OXFORD DRUG DESIGN LTD

  公开号：WO2021123237A1

  公开（公告）日：2021-06-24

  The present invention pertains generally to the field of therapeutic compounds. More specifically the present invention pertains to certain 2-amino-N-(amino-oxo-aryl-λ6- sulfanylidene)acetamide compounds (referred to herein as ANASIA compounds) that, inter alia, inhibit (e.g., selectively inhibit) bacterial aminoacyl-tRNA synthetase (aaRS) (e.g., bacterial leucyl-tRNA synthetase, LeuRS). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit (e.g., selectively inhibit) bacterial aminoacyl-tRNA synthetase; to treat disorders that are ameliorated by the inhibition (e.g., selective inhibition) of bacterial aminoacyl-tRNA synthetase; to treat bacterial infections; etc.

  本发明一般涉及治疗化合物领域。更具体地，本发明涉及某些2-氨基-N-(氨基氧代芳基-λ6-砜基)乙酰胺化合物（以下简称为ANASIA化合物），该化合物在一些情况下抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶（aaRS）（例如，细菌亮氨酰-tRNA合成酶，LeuRS）。本发明还涉及包含这种化合物的药物组合物，以及在体内外使用这种化合物和组合物来抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶；治疗通过抑制（例如，选择性抑制）细菌氨酰-tRNA合成酶而得到改善的疾病；治疗细菌感染等。
• THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5
  申请人：GRANBERG Kenneth

  公开号：US20090111825A1

  公开（公告）日：2009-04-30

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，其制备方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。
• Latent Carbene: Diaminomethylation of Thiophenes
  作者：Georgyi Koidan、Anastasiya Hurieva、Serhii Zahorulko、Alexander Zadorozhny、Viacheslav Lysenko、Tetiana Shvydenko、Eduard B. Rusanov、Aleksandr Kostyuk

  DOI：10.1002/ejoc.202201048

  日期：2022.10.26

  exists in equilibrium with its carbene form. Its reaction with thiophenes bearing at least one electron-accepting group was studied. Nucleophilic carbene insertion into Csp2−H bond of substituted thiophenes proceeded preferably at the 2(5) positions. Thiophenes featuring halogens at the 2 and 5 positions react much slower at the 3(4) position. A set of aldehyde was prepared. The reaction runs without

  甲硅烷基甲脒与其卡宾形式平衡存在。研究了它与带有至少一个电子接受基团的噻吩的反应。亲核卡宾插入取代噻吩的 C sp2 -H 键中优选在 2(5) 位进行。在 2 和 5 位具有卤素的噻吩在 3(4) 位反应慢得多。制备了一组醛。反应在没有任何溶剂或催化剂的情况下进行。
• [EN] SULFONYL BENZAMIDE DERIVATIVES AS BCL-2 INHIBITORS<br/>[FR] DÉRIVÉS DE SULFONYL BENZAMIDE UTILISÉS COMME INHIBITEURS DE BCL-2
  申请人：ASCENTAGE PHARMA SUZHOU CO LTD

  公开号：WO2022161496A1

  公开（公告）日：2022-08-04

  The present disclosure provides compounds having Formula I: and the pharmaceutically acceptable salts and solvates thereof, wherein variables are as defined as set forth in the specification. The present disclosure also provides compounds of Formula I for use to treat a disease, disorder, or condition responsive to Bcl-2 protein inhibition, particiularly Bcl-2 WT and/or Bcl-2 G101V.

  本公开提供具有式I的化合物及其药学上可接受的盐和溶剂化物，其中变量如规范中所定义。本公开还提供式I的化合物，用于治疗对Bcl-2蛋白抑制有响应的疾病，失调或情况，特别是Bcl-2 WT和/或Bcl-2 G101V。