2，4-二甲基-3-[2-（甲基苯基）二氮]-6-黄酰苄腈 | 306937-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2，4-二甲基-3-[2-（甲基苯基）二氮]-6-黄酰苄腈
• 中文别名: 3-氯-5-氟-2-甲基苯磺酰氯
• 英文名称: 3-chloro-5-fluoro-2-methylbenzenesulfonyl chloride
• 英文别名: 3-Chloro-5-fluoro-2-methylbenzene-1-sulfonyl chloride
• CAS: 306937-30-4
• 化学式: C₇H₅Cl₂FO₂S
• mdl: MFCD02180955
• 分子量: 243.086
• InChiKey: DPLPKJZEWFVGQM-UHFFFAOYSA-N

物化性质

• 熔点：
  27-29

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 危险品运输编号：
  UN 3261

SDS

Name:	3-Chloro-5-fluoro-2-methylbenzenesulfonyl chloride 95+% Material Safety Data Sheet
Synonym:
CAS:	306937-30-4

Section 1 - Chemical Product MSDS Name:3-Chloro-5-fluoro-2-methylbenzenesulfonyl chloride 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
306937-30-4	3-Chloro-5-fluoro-2-methylbenzenesulfo	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
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:
Not available.

---

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.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:
Treat symptomatically and supportively.

---

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 foam, dry chemical, or carbon dioxide.

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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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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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# 306937-30-4: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 27 - 29 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: C7H5Cl2FO2S
Molecular Weight: 243

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Bases, oxidizing agents, reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen fluoride gas, fluorine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 306937-30-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Chloro-5-fluoro-2-methylbenzenesulfonyl chloride - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
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# 306937-30-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 306937-30-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 306937-30-4 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：

  2，4-二甲基-3-[2-（甲基苯基）二氮]-6-黄酰苄腈 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 copper(l) iodide 、 cesium fluoride 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 3-chloro-N-[2,6-difluoro-4-[2-(5-fluoro-3-pyridyl)ethynyl]phenyl]-5-fluoro-2-methylbenzenesulfonamide
  参考文献：
  名称：

  [EN] ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS
  [FR] DÉRIVÉS D'ARYLSULFONAMIDE EN TANT QUE MODULATEURS ALLOSTÉRIQUES NÉGATIFS DE MGLUR4

  摘要：

  本发明提供了具有一般式（I）的新芳基磺酰胺化合物，其中L、R1、R2、R3和R4如本文所述，包括这些化合物的组合物，制造这些化合物的方法以及将这些化合物用作mGLUR4负变构调节剂的方法。

  公开号：

  WO2021028512A1
• 作为产物：
  描述：

  1-bromo-3-chloro-5-fluoro-2-methylbenzene 在 tris-(dibenzylideneacetone)dipalladium(0) 、 N-氯代丁二酰亚胺 、 溶剂黄146 、 三乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2，4-二甲基-3-[2-（甲基苯基）二氮]-6-黄酰苄腈
  参考文献：
  名称：

  [EN] ARYLSULFONAMIDE DERIVATIVES AS MGLUR4 NEGATIVE ALLOSTERIC MODULATORS
  [FR] DÉRIVÉS D'ARYLSULFONAMIDE EN TANT QUE MODULATEURS ALLOSTÉRIQUES NÉGATIFS DE MGLUR4

  摘要：

  本发明提供了具有一般式（I）的新芳基磺酰胺化合物，其中L、R1、R2、R3和R4如本文所述，包括这些化合物的组合物，制造这些化合物的方法以及将这些化合物用作mGLUR4负变构调节剂的方法。

  公开号：

  WO2021028512A1

文献信息

• Inhibitors of cytosolic phospholipase A2
  申请人：Wyeth

  公开号：US20030144282A1

  公开（公告）日：2003-07-31

  This invention provides substituted indole compounds of the general formula: 1 and pharmaceutically acceptable salt forms thereof, and methods for using the compounds as inhibitors of the activity of various phospholipase enzymes, particularly phospholipase A 2 enzymes, and for the medical treatment, prevention and inhibition of pain and inflammation.

  这项发明提供了一般式如下的取代吲哚化合物： 1 及其药用可接受的盐形式，以及将这些化合物用作各种磷脂酶酶的抑制剂的方法，特别是磷脂酶A 2 酶，并用于医疗治疗、预防和抑制疼痛和炎症。
• Methods for the use of inhibitors of cytosolic phospholipase A2 in the treatment of thrombosis
  申请人：Clerin Valerie

  公开号：US20080009485A1

  公开（公告）日：2008-01-10

  This invention provides methods for the use of substituted indole compounds of the general formula: and pharmaceutically acceptable salt forms thereof. The invention provides methods for the use of the compounds in the treating or preventing thrombosis in a mammal, or preventing progression of symptoms of thrombosis.

  这项发明提供了一种使用通式所示的取代吲哚化合物及其药用盐形式的方法。该发明提供了一种在哺乳动物中治疗或预防血栓形成，或预防血栓形成症状进展的化合物使用方法。
• Methods for treating arthritic disorders
  申请人：Wyeth

  公开号：US20030166649A1

  公开（公告）日：2003-09-04

  This invention provides methods for treating in mammals arthritic or rheumatic disorders using substituted indole compounds of the general formula: 1 and pharmaceutically acceptable salt forms thereof, and methods for using the compounds as inhibitors of the activity of various phospholipase enzymes, particularly phospholipase A 2 enzymes, and for the medical treatment, prevention and inhibition of pain and inflammation.

  本发明提供了一种使用一般式（1）的取代吲哚化合物及其药学上可接受的盐形式来治疗哺乳动物的关节炎或风湿性疾病的方法，以及使用这些化合物作为各种磷脂酶酶活性抑制剂，特别是磷脂酶A2酶的抑制剂的方法，并用于医疗治疗、预防和抑制疼痛和炎症。
• Inhibitors of proteins that bind phosphorylated molecules
  申请人：Combs P. Andrew

  公开号：US20050272778A1

  公开（公告）日：2005-12-08

  The present invention provides compounds that can modulate the activity of a target protein, such as a phosphatase, that selectively binds phosphorylated peptides or proteins. The present compounds can be useful in treating diseases or disorders, including, for example, diabetes and obesity, that are connected directly or indirectly to the activity of the target protein.

  本发明提供了可以调节目标蛋白活性的化合物，例如选择性结合磷酸化肽或蛋白质的磷酸酶。这些化合物可以用于治疗与目标蛋白活性直接或间接相关的疾病或障碍，例如糖尿病和肥胖症。
• Methods for the use of inhibitors of cytosolic phospholipase A2
  申请人：McKew C. John

  公开号：US20060014759A1

  公开（公告）日：2006-01-19

  This invention provides methods for the use of substituted indole compounds of the general formula: and pharmaceutically acceptable salt forms thereof. The invention provides methods for the use of the compounds as inhibitors of the activity of various phospholipase enzymes, particularly phospholipase A 2 enzymes, and for the medical treatment, prevention and inhibition diseases and disorders including asthma, stroke, atherosclerosis, multiple sclerosis, Parkinson's disease, arthritic disorders, rheumatic disorders, central nervous system damage resulting from stroke, central nervous system damage resulting from ischemia, central nervous system damage resulting from trauma, inflammation caused or potentiated by prostaglandins, inflammation caused or potentiated by leukotrienes, inflammation caused or potentiated by platelet activation factor, pain caused or potentiated by prostaglandins, pain caused or potentiated by leukotrienes, and pain caused or potentiated by platelet activation factor.

  这项发明提供了使用一般式为的取代吲哚化合物及其药学上可接受的盐形式的方法。该发明提供了将该化合物用作各种磷脂酶酶活性抑制剂的方法，特别是磷脂酶A2酶，并用于医疗治疗、预防和抑制哮喘、中风、动脉粥样硬化、多发性硬化症、帕金森病、关节炎性疾病、风湿性疾病、中风引起的中枢神经系统损伤、缺血引起的中枢神经系统损伤、创伤引起的中枢神经系统损伤、由前列腺素引起或增强的炎症、由白三烯引起或增强的炎症、由血小板活化因子引起或增强的炎症、由前列腺素引起或增强的疼痛、由白三烯引起或增强的疼痛和由血小板活化因子引起或增强的疼痛的疾病和疾患的方法。