3-乙酰苯磺酰氯氟化物 | 709-60-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-乙酰苯磺酰氯氟化物
• 中文别名: 3-乙酰苯磺酰氟
• 英文名称: 3-acetylbenzenesulfonyl fluoride
• 英文别名: 3-Fluorsulfonyl-acetophenon
• CAS: 709-60-4
• 化学式: C₈H₇FO₃S
• mdl: MFCD00007416
• 分子量: 202.206
• InChiKey: NEVFJPDNDDMQGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• 海关编码：
  2914700090

SDS

Name:	3-Acetylbenzenesulfonyl fluoride 99% Material Safety Data Sheet
Synonym:	3-acetylbenzenesulfonyl fluoride; m-(Fluorosulfonyl)acetophenon
CAS:	709-60-4

Section 1 - Chemical Product MSDS Name:3-Acetylbenzenesulfonyl fluoride 99% Material Safety Data Sheet
Synonym:3-acetylbenzenesulfonyl fluoride; m-(Fluorosulfonyl)acetophenon

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
709-60-4	3-Acetylbenzenesulfonyl fluoride	99	211-912-5

Hazard Symbols: XI C
Risk Phrases: 34 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns. Irritating to eyes, respiratory system and skin.Moisture sensitive.Corrosive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
The toxicological properties of this substance have not been fully investigated. Causes digestive tract irritation with possible burns.
Inhalation:
The toxicological properties of this substance have not been fully investigated. Causes respiratory tract irritation with possible burns.
Chronic:
No information found.

---

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.
Extensive irrigation with water is required (at least 30 minutes).
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. Discard contaminated clothing in a manner which limits further exposure. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. 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:
Antidote: None reported.

---

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:
Do NOT use water directly on fire. Use foam, dry chemical, or carbon dioxide.

---

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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# 709-60-4: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 90.00 - 92.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: CH3COC6H4SO2F
Molecular Weight: 202.20

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, moisture.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of sulfur, carbon dioxide, fluoride fumes.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 709-60-4: DB8941000 LD50/LC50:
Not available.
Carcinogenicity:
3-Acetylbenzenesulfonyl fluoride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

---

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: II
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: II
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: II

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI C
Risk Phrases:
R 34 Causes burns.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 709-60-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 709-60-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 709-60-4 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-乙酰苯磺酰氯氟化物 、 二乙胺 在 二氯甲烷 、 水 、 magnesium sulfate 作用下， 以 四氢呋喃 为溶剂， 反应 88.0h， 以to give 45 g (88%) of thick oil的产率得到3-(N,N-diethylaminosulfonyl)acetophenone
  参考文献：
  名称：

  Renin inhibitors

  摘要：

  该文献介绍了一种公式为：##STR1##其中A是从以下公式中选择的残基：##STR2##其中Z为O、S、SO或SO.sub.2，P为1或2，X为--O--或--S--；以及抑制肾素底物裂解作用的类似物，包含这些化合物的制药组合物，制备这些化合物的方法以及使用这些新型肾素抑制剂治疗高血压的方法。

  公开号：

  US05459131A1

文献信息

• Novel tricyclic compounds and drug compositions containing same
  申请人：ASAHI KASEI KOGYO KABUSHIKI KAISHA

  公开号：US20030139475A1

  公开（公告）日：2003-07-24

  Compounds having a &bgr;-3 adrenaline receptor agonist and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc., represented by a general formula (I) and salts thereof, and a process for producing these, and their intermediates, wherein R represents hydrogen or methyl; R 1 represents hydrogen, halogen, hydroxy, benzyloxy, amino, or hydroxymethyl; R 2 represents hydrogen, hydroxymethyl, NHR 3 , SO 2 NR 4 R 4′ , or nitro; R 6 represents hydrogen or lower alkyl; and X represents nitrogen, R 9 represents hydrogen, one of R 7 and R 8 represent hydrogen, and the other thereof represents hydrogen, amino, acetylamino, or hydroxy.

  具有&bgr;-3肾上腺素受体激动剂的化合物，可用于治疗和预防糖尿病、肥胖症、高脂血症等疾病，其通式表示为(I)，并且包括其盐，以及制备这些化合物和其中间体的方法。其中，R代表氢或甲基；R1代表氢、卤素、羟基、苄氧基、氨基或羟甲基；R2代表氢、羟甲基、NHR3、SO2NR4R4′或硝基；R6代表氢或低碳基；X代表氮；R9代表氢；R7和R8中的一个代表氢，而另一个代表氢、氨基、乙酰氨基或羟基。
• Process for the preparation of an amine terminated polybutadiene
  申请人：ELF ATOCHEM S.A.

  公开号：EP0206714A1

  公开（公告）日：1986-12-30

  @ Novel amine terminated polybutadiene compounds of the formula: wherein R is hydrogen, a straight or branched chain alkyl group containing from 1 to 10 carbon atoms or a substituted or unsubstituted aryl or aralkyl group containing one or more benzenoid rings which may be fused or joined by single valency bonds, and n is an integer of from about 5 to 1500 and a method for the preparation thereof by reacting a polyhydroxybutadiene homopolymer with an alkane- or arenesulfonyl chloride or fluoride in the presence of a tertiary amine to form an alkane- or arenesulfonate terminated polybutadiene and then reacting said alkane- or arenesulfonate terminated polybutadiene with a primary amine or ammonia.

  @式中的新型胺封端聚丁二烯化合物： 其中 R 是氢、含有 1 至 10 个碳原子的直链或支链烷基或含有一个或多个苯环的取代或未取代芳基或芳烷基，这些苯环可通过单价键融合或连接、和 n 是约 5 至 1500 的整数，及其制备方法，即在叔胺存在下，将聚羟基丁二烯均聚物与烷基或异烷基磺酰氯或氟化物反应，形成烷基或异烷基磺酸盐封端的聚丁二烯，然后将所述烷基或异烷基磺酸盐封端的聚丁二烯与伯胺或氨反应。
• NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0882707A1

  公开（公告）日：1998-12-09

  Compounds represented by general formula (I) or salts thereof, a process for producing the same, and intermediates therefor, wherein R represents hydrogen or methyl; R1 represents hydrogen, hologeno, hydroxy, benzyloxy, amino, or hydroxymethyl; R2 represents hydrogen, hydroxymethyl, NHR3, SO2NR4R4, or nitro; R6 represents hydrogen or lower alkyl; and X represents nitrogen, oxygen, sulfur, or methylene, provided that when X represents nitrogen, oxygen, or sulfur, then R9 represents hydrogen, one of R7 an R8 represents hydrogen, and the other thereof represents hydrogen, amino, acetylamino, or hydroxy, and when X represents methylene, then R7 and R8 each represents hydrogen and R9 represents hydrogen, amino, etc. They have a β-3 adrenaline receptor agonist and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc.

  通式(I)所代表的化合物或其盐类，以及生产该化合物或其盐类的工艺和中间体，其中R代表氢或甲基；R1代表氢、囟素、羟基、苄氧基、氨基或羟甲基；R2代表氢、羟甲基、NHR3、SO2NR4R4或硝基；R6代表氢或低级烷基；X代表氮、氧、硫或亚甲基，但当X代表氮、氧或硫时，R9代表氢，R7和R8中的一个代表氢，另一个代表氢、氨基、乙酰氨基或羟基；当X代表亚甲基时，R7和R8各自代表氢，R9代表氢、氨基等。它们具有β-3肾上腺素受体激动剂的作用，可作为治疗和预防糖尿病、肥胖症、高脂血症等的药物。
• NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME
  申请人：Asahi Kasei Kogyo Kabushiki Kaisha

  公开号：EP0997458A1

  公开（公告）日：2000-05-03

  Compounds represented by general formula (I) or their salts, having β3 -adrenoceptor agonism and being efficacious when employed in drugs for treating and preventing diabetes, obesity, hyperlipemia, etc. wherein R represents hydrogen or methyl; R1 represents hydrogen, halogeno, hydroxy, benzyloxy, amino or hydroxymethyl; R2 represents hydrogen, hydroxymethyl, NHR3, SO2NR4R4', or nitro (wherein R3 represents hydrogen, methyl, SO2R5, formyl or CONHR6'; R5 represents lower alkyl, benzyl or NR4R4'; R4 and R4' may be the same or different and each represents hydrogen, lower alkyl or benzyl; and R6' represents hydrogen or lower alkyl); R6 represents hydrogen or lower alkyl; n is 1 or 2; X represents secondary nitrogen, oxygen or sulfur; and when n is 1, then one of R7 and R8 represents hydrogen while another represents hydrogen, amino, acetylamino or hydroxy, or when n is 2, then R8 represents hydrogen while R7 represents hydrogen, amino, acetylamino or hydroxy.

  通式(I)所代表的化合物或其盐类，具有 β3-肾上腺素受体激动作用，在用于治疗和预防糖尿病、肥胖症、高血脂症等药物时具有疗效。其中 R 代表氢或甲基；R1 代表氢、卤素、羟基、苄氧基、氨基或羟甲基；R2 代表氢、羟甲基、NHR3、SO2NR4R4'或硝基（其中 R3 代表氢、甲基、SO2R5、甲酰基或 CONHR6'；R5 代表低级烷基、苄基或 NR4R4'；R4 和 R4'可以相同或不同，各自代表氢、低级烷基或苄基；和 R6' 代表氢或低级烷基）；R6 代表氢或低级烷基；n 为 1 或 2；X 代表仲氮、氧或硫；当 n 为 1 时，则 R7 和 R8 中的一个代表氢，而另一个代表氢、氨基、乙酰氨基或羟基，或当 n 为 2 时，则 R8 代表氢，而 R7 代表氢、氨基、乙酰氨基或羟基。
• Method, composition and device for sampling natriuretic peptides in a biological fluid
  申请人：Scios Inc.

  公开号：EP2098866A1

  公开（公告）日：2009-09-09

  Disclosed is a composition that synergistically prevents proteolysis or modification of peptides in sampled biological fluids using sulfonyl fluoride family protease inhibitors at high concentrations combined with at least one additional protease inhibitor of a different type, preferably a broad spectrum protease inhibitor, and a chelator. A preferred embodiment uses AEBSF at 10mM, Benzamidine at 20mM and EDTA as the chelator. The disclosed composition may be combined with other protease inhibitors to further modulate its specificity, for instance to additionally target acidic proteases. Additional protease inhibitors, reducing agents, stabilizers and buffering agents may be combined with the disclosed compositions in devices for sampling or testing biological fluids for levels of peptides of interest, or methods therefore. The disclosed devices, compositions and methods are of particular use in sampling and testing for the level of natriuretic peptides.

  本发明公开了一种组合物，使用高浓度的磺酰氟族蛋白酶抑制剂与至少一种不同类型的蛋白酶抑制剂（最好是广谱蛋白酶抑制剂）和一种螯合剂相结合，可协同防止采样生物液体中肽的蛋白水解或修饰。一个优选的实施方案使用 10mM 的 AEBSF、20mM 的联苯胺和 EDTA 作为螯合剂。所公开的组合物可与其他蛋白酶抑制剂结合使用，以进一步调节其特异性，例如额外针对酸性蛋白酶。其他蛋白酶抑制剂、还原剂、稳定剂和缓冲剂可与所公开的组合物结合，用于生物液体中相关肽水平的采样或测试装置，或用于相关方法。所公开的装置、组合物和方法尤其适用于钠尿肽水平的取样和检测。

表征谱图