4-溴-3-噻吩磺酰氯 | 111283-90-0

• 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-3-噻吩磺酰氯
• 英文名称: 4-bromo-3-thiophenesulfonyl chloride
• 英文别名: 4-bromothiophene-3-sulfonyl Chloride
• CAS: 111283-90-0
• 化学式: C₄H₂BrClO₂S₂
• mdl: MFCD04115406
• 分子量: 261.548
• InChiKey: XQOPBRYPDVISQI-UHFFFAOYSA-N

物化性质

• 沸点：
  320.9±27.0 °C(Predicted)
• 密度：
  1.985±0.06 g/cm3(Predicted)
• 溶解度：
  溶于丙酮、氯仿、二氯甲烷、DMF、DMSO、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34

SDS

Name:	4-Bromo-3-thiophenesulfonyl chloride 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	111283-90-0

Section 1 - Chemical Product MSDS Name:4-Bromo-3-thiophenesulfonyl chloride 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
111283-90-0	4-Bromo-3-thiophenesulfonyl chloride	97%	unlisted

Hazard Symbols: C
Risk Phrases: 14 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Reacts violently with water. Causes burns.Water-reactive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic exposure may cause effects similar to those of acute exposure.

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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 immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. If water-reactive products are embedded in the skin, no water should be applied. The embedded products should be covered with a light oil.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. Water Reactive. Material will react with water and may release a flammable and/or toxic gas.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER! Do NOT get water inside containers. Contact professional fire-fighters immediately.

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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. Do not expose spill to water. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep away from water. Corrosives area. Store protected from moisture.
Store under an inert atmosphere.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use explosion-proof ventilation equipment. 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# 111283-90-0: 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: Solid or liquid
Color: green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 44 - 46 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: C4H2BrClO2S2
Molecular Weight: 261.54

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Combines vigorously or explosively with water. Low melting point solid.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Water.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 111283-90-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromo-3-thiophenesulfonyl chloride - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: Pseudomonas putida:

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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: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.*
Hazard Class: 8
UN Number: 3096
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.*
Hazard Class: 8
UN Number: 3096
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, WATER-REACTIVE, N.O.S.*
Hazard Class: 8
UN Number: 3096
Packing group: II

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 14 Reacts violently with water.
R 34 Causes burns.
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 111283-90-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 111283-90-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 111283-90-0 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-3-噻吩磺酰氯 、 tert-butyl {[4-fluoro-5-(2-fluoropyridin-3-yl)-1H-pyrrol-3-yl]methyl}methylcarbamate 在 sodium hydride 、 15-冠醚-5 作用下， 以 四氢呋喃 为溶剂， 反应 1.17h， 以98%的产率得到tert-butyl {[1-[(4-bromo-3-thienyl)sulfonyl]-4-fluoro-5-(2-fluoropyridin-3-yl)-1H-pyrrol-3-yl]methyl}methylcarbamate
  参考文献：
  名称：

  WO2008/108380

  摘要：

  公开号：

文献信息

• [EN] CATHEPSIN C INHIBITORS<br/>[FR] INHIBITEURS DE LA CATHEPSINE C
  申请人：GLAXO GROUP LTD

  公开号：WO2009129370A1

  公开（公告）日：2009-10-22

  What is disclosed herein are compounds of the following formula (I); or a salt thereof wherein Ar is a monocyclic heteroaromatic ring, a bicyclic heteroaromatic ring or a bicyclic heterocycloalkylaromatic ring.

  本文披露的是以下化合物的结构（I）；或其盐，其中Ar是单环杂芳环、双环杂芳环或双环杂环烷基芳环。
• DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK
  申请人：Maderna Andreas

  公开号：US20080058340A1

  公开（公告）日：2008-03-06

  This invention concerns N-(2-arylamino) aryl sulfonamides, which are inhibitors of MEK and are useful in treatment of cancer and other hyperproliferative diseases.

  这项发明涉及N-(2-芳基氨基)芳基磺酰胺，它们是MEK抑制剂，并且在治疗癌症和其他过度增殖性疾病中有用。
• Compounds with medicinal effects due to interaction with the glucocorticoid receptor
  申请人：Hamilton Morton Niall

  公开号：US20070149577A1

  公开（公告）日：2007-06-28

  The invention provides for compounds having the structure according to the formula I wherein: X is a carbon or nitrogen atom; Ar is phenyl or heteroaromatic ring; R 1 is hydrogen, halogen, CN or (1C-4C)alkyl; R 2 is hydrogen, halogen or optionally fluorinated (1C-3C)alkoxy; R 3 and R 5 are independently hydrogen, optionally halogenated (1C-4C)alkyl, optionally halogenated (1C-4C)alkoxy, optionally halogenated aryl(1C-4C)alkoxy, optionally halogenated (1C-4C)alkenyl or hydroxylmethyl; R 4 is hydrogen, halogen, optionally halogenated (1C-4C)alkoxy or optionally halogenated aryl(1C-4C)alkoxy; R 6 is hydrogen, benzyl, optionally substituted with one or more halogens or (1C-4C)alkyl, or R 6 is optionally halogenated (1C-4C)alkyl; each R 7 independently is hydrogen, halogen, optionally halogenated (1C-4C)alkyl or optionally halogenated (1C-4C)alkoxy and pharmaceutically suitable acid addition salts thereof for use as glucocorticoid receptor modulators, in particular for treatment of central nervous system disorders.

  该发明提供了具有以下结构的化合物，其中：X是碳或氮原子；Ar是苯基或杂环芳香环；R1为氢，卤素，CN或（1C-4C）烷基；R2为氢，卤素或可选氟化的（1C-3C）烷氧基；R3和R5分别为氢，可选卤素化的（1C-4C）烷基，可选卤素化的（1C-4C）烷氧基，可选卤素化的芳基（1C-4C）烷氧基，可选卤素化的（1C-4C）烯基或羟甲基；R4为氢，卤素，可选卤素化的（1C-4C）烷氧基或可选卤素化的芳基（1C-4C）烷氧基；R6为氢，苄基，可选用一个或多个卤素或（1C-4C）烷基取代，或R6为可选卤素化的（1C-4C）烷基；每个R7分别为氢，卤素，可选卤素化的（1C-4C）烷基或可选卤素化的（1C-4C）烷氧基，以及其药学上适用的酸盐，用作糖皮质激素受体调节剂，特别是用于治疗中枢神经系统疾病。
• DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES INCLUDING POLYMORPHS AS INHIBITORS OF MEK AS WELL AS COMPOSITIONS, METHODS OF USE AND METHODS FOR PREPARING THE SAME
  申请人：Vernier Jean-Michel

  公开号：US20110060049A1

  公开（公告）日：2011-03-10

  This invention concerns N-(2-arylamino) aryl sulfonamide compounds which are inhibitors of MEK including crystalline polymorphic forms which exhibit a specific powder x-ray diffraction profile and/or a specific differential scanning calorimetry profile. This invention also concerns pharmaceutical compositions comprising the compounds described herein and methods of use of the compounds and compositions described herein, including the use in the treatment and/or prevention of cancer, hyperproliferative diseases and inflammatory conditions. The invention also concerns methods of making the compounds and compositions described herein.

  本发明涉及N-(2-芳基氨基)芳基磺酰胺化合物，其是MEK抑制剂，包括具有特定粉末X射线衍射谱和/或特定差示扫描量热谱的晶体多态形式。本发明还涉及包含所述化合物的制药组合物及所述化合物和组合物的使用方法，包括在治疗和/或预防癌症、高增殖性疾病和炎症疾病中的使用。本发明还涉及制备所述化合物和组合物的方法。
• Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK
  申请人：Ardea Biosciences

  公开号：US07759518B2

  公开（公告）日：2010-07-20

  This invention concerns N-(2-arylamino)aryl sulfonamides, which are inhibitors of MEK and are useful in treatment of cancer and other hyperproliferative diseases.

  这项发明涉及N-(2-芳基氨基)芳基磺酰胺，它们是MEK的抑制剂，并且在治疗癌症和其他过度增殖性疾病方面非常有用。