ALPHA-氯-ALPHA-羟基-2-甲苯磺酸GAMMA-磺内酯 | 25595-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: ALPHA-氯-ALPHA-羟基-2-甲苯磺酸GAMMA-磺内酯
• 中文别名: 3-氯-3H-2,1-苯并噁硫代-1,1-二氧化物；3-氯-3H-2,1-苯并恶-1,1-二氧化物
• 英文名称: 3-chloro benzisoxathiole-1,1-dioxide
• 英文别名: 3-chloro-3H-benz[c][1,2]oxathiol-1,1-dioxide；3-Chlor-3H-benz[c][1,2]oxathiol-1,1-dioxid；3-Chlor-3H-benzo[c][1,2]oxathiol-1,1-dioxid；α-chloro-α-hydroxy-ortho-toluene-sulfonic acid γ-sultone；α-chloro-α-hydroxy-2-toluenesulfonic acid γ-sultone；α-chloro-α,2-toluenesultone；3-Chloro-3H-2,1-benzoxathiole-1,1-dioxide；3-chloro-3H-2,1λ6-benzoxathiole 1,1-dioxide
• CAS: 25595-59-9
• 化学式: C₇H₅ClO₃S
• mdl: MFCD00005867
• 分子量: 204.634
• InChiKey: LNWUNIOANJTGPG-UHFFFAOYSA-N

物化性质

• 熔点：
  114-116 °C(lit.)
• 密度：
  1.4581 (estimate)
• 稳定性/保质期：

  在常温常压下稳定，避免接触强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2934991000

SDS

Name:	Alpha-Chloro-Alpha-Hydroxy-2-Toluene-Sulfonic Acid Gamma-Sultone 99% Material Safety Data Sheet
Synonym:	None known
CAS:	25595-59-9

Section 1 - Chemical Product MSDS Name:Alpha-Chloro-Alpha-Hydroxy-2-Toluene-Sulfonic Acid Gamma-Sultone 99% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
25595-59-9	Alpha-Chloro-Alpha-Hydroxy-2-Toluene-S	99	247-122-2

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.Moisture sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Do not get water inside containers.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

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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# 25595-59-9: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: beige
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 114.00 - 116.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C7H5ClO3S
Molecular Weight: 204.63

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 25595-59-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Alpha-Chloro-Alpha-Hydroxy-2-Toluene-Sulfonic Acid Gamma-Sultone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 25595-59-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25595-59-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25595-59-9 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：

  ALPHA-氯-ALPHA-羟基-2-甲苯磺酸GAMMA-磺内酯 在 盐酸 、 氯化亚砜 、 水 、 锌 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 6.83h， 生成 benzo[c][1,2]oxathiin-3(4H)-one-1,1-dioxide
  参考文献：
  名称：

  与亚胺反应的混合羧酸-磺酸酐：通过史陶丁格型反应制备水溶性β-内酰胺的直接途径†

  摘要：

  据报道，第一个使用混合的羧酸-磺酸酐与亚胺反应的例子。与苯丙[ c ] [1,2]恶臭素-3（4 H）-1，1，1-二氧化物不同，它的研究方法广为人知，它没有形成正式的[4 + 2]环加成反应的产物，并且仅在可替代的反应后进行可能通过正式的[2 + 2]环加成反应（Staudinger型反应）通向β-内酰胺的途径。优化的反应条件包括使用三乙胺作为碱助催化剂，这还允许通过常规柱色谱法分离相应的三乙铵盐形式的产物β-内酰胺苯磺酸。反应显示出对反式有一些偏爱-异构体形成；在某些情况下，可以分离出纯的非对映异构体。

  DOI：

  10.1039/c8ob00768c
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 五氯化磷 、 三氯氧磷 作用下， 生成 ALPHA-氯-ALPHA-羟基-2-甲苯磺酸GAMMA-磺内酯
  参考文献：
  名称：

  DE94948

  摘要：

  公开号：

文献信息

• 2-Formylbenzenesulphonyl chloride as a reagent for the protection of phenols
  作者：M. S. Shashidhar、M. Vivekananda Bhatt

  DOI：10.1039/c39870000654

  日期：——

  2-Formylbenzenesulphonate esters of phenols are rapidly cleaved by alkali leaving carboxylate esters untouched.

  酚的2-甲酰基苯磺酸酯被碱迅速裂解，而羧酸酯保持不变。
• Reaction of normal and pseudo 2-formylbenzenesulfonyl chlorides with amines: Experimental and theoretical studies on the structure of 2-formyl benzenesulfonamides in solid, solution and gas phases.
  作者：Kallanthottathil G. Rajeev、Srikantiah M. Shashidhar、Kuruvilla Pius、Vivekananda M. Bhatt

  DOI：10.1016/s0040-4020(01)80699-2

  日期：1994.5

  The reaction of 2-formylbenzenesulfonyl chloride 1 and its pseudo isomer 2 with primary amines give either the corresponding sulfonamido Schiff bases or the corresponding 2-formylbenzenesulfonamide depending on the concentration of the amine used. These derivatives exist as an equilibrium mixture of the corresponding sulfonamide and 2-alkyl-3-hydroxy(or 3-aminoalkyl)-benzisothiazole-1,1-dioxide. Spectroscopic

  2-甲酰基苯磺酰氯1及其假异构体2与伯胺的反应取决于所用胺的浓度而得到相应的磺酰胺基席夫碱或相应的2-甲酰基苯磺酰胺。这些衍生物以相应的磺酰胺和2-烷基-3-羟基（或3-氨基烷基）-苯并噻唑-1，1-二氧化物的平衡混合物形式存在。光谱研究表明2-甲酰基苯磺酰胺以固态形式的苯并异噻唑-1,1-二氧化物，溶液中2-甲酰基苯磺酰胺和相应的苯异噻唑-1,1-二氧化物的混合物以及在气体中以2-甲酰基苯磺酰胺的形式存在阶段。
• Methods and compositions for treating amyloid-related diseases
  申请人：Kong Xianqi

  公开号：US20070010573A1

  公开（公告）日：2007-01-11

  Methods, compounds, pharmaceutical compositions and kits are described for treating or preventing amyloid-related disease.

  描述了用于治疗或预防与淀粉样蛋白相关的疾病的方法、化合物、制药组合物和试剂盒。
• METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES
  申请人：Kong Xianqi

  公开号：US20100113591A1

  公开（公告）日：2010-05-06

  Methods, compounds, pharmaceutical compositions and kits are described for treating or preventing amyloid-related disease.

  本发明涉及用于治疗或预防淀粉样蛋白相关疾病的方法、化合物、制药组合物和试剂盒。
• SHASHIDHAR, M. S.;BHATT, M. V., PROC. INDIAN ACAD. SCI. CHEM. SCI., 101,(1989) N, C. 319-326
  作者：SHASHIDHAR, M. S.、BHATT, M. V.

  DOI：——

  日期：——

表征谱图