4-溴-2-甲基苯-1-磺酰氯 | 139937-37-4

• 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: 4-溴-2-甲基苯-1-磺酰氯
• 中文别名: 4-溴-2-甲基苯磺酰氯；4-溴-2-甲基苯-1-黄酰氯；-溴-2-甲基苯-1-黄酰氯；2-溴-4-甲基苯磺酰氯
• 英文名称: 5-bromo-2-toluenesulfonyl chloride
• 英文别名: 4-bromo-2-methyl-benzene-sulfonyl chloride；4-bromo-2-methylbenzene-1-sulfonyl chloride；4-Bromo-2-methylbenzenesulfonyl chloride
• CAS: 139937-37-4
• 化学式: C₇H₆BrClO₂S
• mdl: MFCD00219927
• 分子量: 269.546
• InChiKey: KNBSFUSBZNMAKU-UHFFFAOYSA-N

物化性质

• 熔点：
  65-67°C
• 沸点：
  164°C 15mm
• 密度：
  1.700±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 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：
  2

安全信息

• 危险等级：
  8
• 危险等级：
  MOISTURE SENSITIVE
• 危险品标志：
  C
• 危险类别码：
  R14,R34,R29
• 危险品运输编号：
  UN 3261
• WGK Germany：
  3
• 海关编码：
  2904909090
• 危险类别：
  8
• 安全说明：
  S22,S26,S30,S36/37/39,S45,S8
• 包装等级：
  II
• 危险性防范说明：
  P261,P280,P305+P351+P338,P310
• 危险性描述：
  H302,H314
• 储存条件：
  室温

SDS

Name:	4-Bromo-2-methylbenzene-1-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:	None Known
CAS:	139937-37-4

Section 1 - Chemical Product MSDS Name:4-Bromo-2-methylbenzene-1-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
139937-37-4	4-Bromo-2-methylbenzene-1-sulfonyl chl	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
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.

---

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. 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! 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Do not expose spill to water.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. 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.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Keep away from water. 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# 139937-37-4: 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
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 164 deg C @15mmHg
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:
Specific Gravity/Density:
Molecular Formula: C7H6BrClO2S
Molecular Weight: 270

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Reacts with water to form toxic fumes.
Conditions to Avoid:
Dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, acids, bases, amines, 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# 139937-37-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Bromo-2-methylbenzene-1-sulfonyl 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: WATER-REACTIVE SOLID, CORROSIVE, N.O.S.
Hazard Class: 4.3
UN Number: 3131
Packing Group: II
IMO
Shipping Name: WATER-REACTIVE SOLID, CORROSIVE, N.O.S.
Hazard Class: 4.3
UN Number: 3131
Packing Group: II
RID/ADR
Shipping Name: WATER-REACTIVE SOLID, CORROSIVE, N.O.S.
Hazard Class: 4.3
UN Number: 3131
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 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# 139937-37-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 139937-37-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 139937-37-4 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：

  4-溴-2-甲基苯-1-磺酰氯 在 1,1'-双(二苯基膦)二茂铁 、 tris-(dibenzylideneacetone)dipalladium(0) 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.5h， 生成 1,1-dimethylethyl 4-[(4-cyano-2-methylphenyl)sulfonyl]-1-piperazinecarboxylate
  参考文献：
  名称：

  PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS

  摘要：

  本发明涉及新型哌嗪化合物；含有这些化合物的药物组合物；以及利用这些化合物在治疗中治疗阻断Ca v 2.2钙通道有益的疾病，以及治疗阻断Ca v 2.2和Ca v 3.2钙通道有益的疾病，例如治疗疼痛。

  公开号：

  US20130072499A1
• 作为产物：
  描述：

  2-甲基-4-溴苯胺 在 盐酸 、 溶剂黄146 、 sodium nitrite 、 二氧化硫 、 copper dichloride 作用下， 以 水 为溶剂， 反应 16.5h， 生成 4-溴-2-甲基苯-1-磺酰氯
  参考文献：
  名称：

  [EN] NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS
  [FR] NOUVEAUX COMPOSÉS DE TÉTRAZOLE ET LEUR UTILISATION DANS LE TRAITEMENT DE LA TUBERCULOSE

  摘要：

  这项发明涉及到式（I）的化合物或其药用盐以及它们在治疗中的应用，例如在治疗分枝杆菌感染或治疗由分枝杆菌引起的疾病，如结核病。

  公开号：

  WO2019034729A1

文献信息

• [EN] PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS<br/>[FR] DERIVES DE PIPERAZINE CONVENANT POUR LE TRAITEMENT DE TROUBLES GASTRO-INTESTINAUX
  申请人：GLAXO GROUP LTD

  公开号：WO2006010629A1

  公开（公告）日：2006-02-02

  The invention provides compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Ra, Rb, Rc, Rd, Re, Rf and Y are as defined in the specification. The compounds are partial or full agonists at the growth hormone secretagogue (GHS) receptors . Pharmaceutical compositions comprising the compounds, methods of preparing the compounds, uses of the compounds and methods involving the compounds are also provided.

  这项发明提供了式（I）的化合物或其药用盐，其中Ra、Rb、Rc、Rd、Re、Rf和Y如规范中所定义。这些化合物是生长激素分泌素（GHS）受体的部分或全激动剂。还提供了包括这些化合物的药物组合物、制备这些化合物的方法、这些化合物的用途以及涉及这些化合物的方法。
• SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Ajinomoto Co., Inc.

  公开号：US20160244451A1

  公开（公告）日：2016-08-25

  Provided is a sulfonamide derivative represented by the following general formula (1) and having an α4 integrin inhibitory effect with high selectivity with a low effect on α4β1 and a high effect on α4β7, or a pharmaceutically acceptable salt thereof (in the general formula (1), A, B, D, E, R 41 , and a to h are as described in the description).

  提供的是一种磺酰胺衍生物，其具有以下通式(1)表示，并具有对α4整合素抑制效果的高选择性，对α4β1影响小，对α4β7影响大，或其药用可接受盐（在通式(1)中，A、B、D、E、R 41 和a至h如描述中所述）。
• [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2017084630A1

  公开（公告）日：2017-05-26

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type 1 signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.

  本文提供了抗菌化合物，其中在某些实施例中，这些化合物具有广谱生物活性。在各种实施例中，这些化合物通过抑制细菌类型1信号肽酶（SpsB）发挥作用，这是细菌中的一种必需蛋白质。还提供了使用所述化合物的药物组合物和治疗方法。
• MST1 KINASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Augeri David John

  公开号：US20120225857A1

  公开（公告）日：2012-09-06

  Compounds for the inhibition of mammalian Ste20-like kinase 1 (MST1) are disclosed, along with compositions comprising them and methods of their use in the treatment, management or prevention of an inflammatory or autoimmune diseases or disorders.

  揭示了用于抑制哺乳动物Ste20样激酶1（MST1）的化合物，以及包含它们的组合物和在治疗、管理或预防炎症性或自身免疫疾病或紊乱中使用它们的方法。
• Tyrosine alkoxyguanidines as integrin inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06344484B1

  公开（公告）日：2002-02-05

  The present invention relates to novel tyrosine alkoxyguanidine compounds that are inhibitors of alpha V (&agr;v) integrins, for example &agr;v&bgr;3 and &agr;v&bgr;5 integrins, their pharmaceutically acceptable salts, and pharmaceutical compositions thereof. The compounds may be used in the treatment of pathological conditions mediated by &agr;v&bgr;3 and &agr;v&bgr;5 integrins, including conditions such as tumor growth, metastasis, restenosis, osteoporosis, inflammation, macular degeneration, diabetic retinopathy, and rheumatoid arthritis. The compounds have the general formula: where R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, m and n are defined herein.

  本发明涉及新颖的酪氨酸烷氧基胍化合物，它们是αV（αv）整联蛋白的抑制剂，例如αvβ3和αvβ5整联蛋白，其药用可接受的盐以及由此构成的药物组合物。这些化合物可用于治疗由αvβ3和αvβ5整联蛋白介导的病理状况，包括肿瘤生长、转移、再狭窄、骨质疏松症、炎症、黄斑变性、糖尿病视网膜病变和类风湿性关节炎。这些化合物具有以下通用公式： 其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、m和n在此文中定义。