3-氯磺酰苯甲酰氯 | 4052-92-0

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酰卤化物
• 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: 3-氯磺酰苯甲酰氯
• 中文别名: 3-(氯磺酰基)苯甲酰氯；3-氯磺酰基苯甲酰氯
• 英文名称: 3-chlorosulfonylbenzoyl dichloride
• 英文别名: 3-(chlorosulfonyl)benzoyl chloride；3-chlorosulfonylbenzoyl chloride
• CAS: 4052-92-0
• 化学式: C₇H₄Cl₂O₃S
• mdl: MFCD00051352
• 分子量: 239.079
• InChiKey: XWEBTVZIZWEJOO-UHFFFAOYSA-N

物化性质

• 熔点：
  18-20 °C
• 沸点：
  170-175 °C(Press: 15 Torr)
• 密度：
  1.567±0.06 g/cm3 (20 ºC 760 Torr)
• 稳定性/保质期：

  避免与不相容材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2916399090
• WGK Germany：
  3
• 储存条件：
  密封存储于阴凉、干燥的仓库中。

SDS

Name:	3-(Chlorosulfonyl)benzoyl Chloride 98% (Titr.) Material Safety Data Sheet
Synonym:	None
CAS:	4052-92-0

Section 1 - Chemical Product MSDS Name:3-(Chlorosulfonyl)benzoyl Chloride 98% (Titr.) Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
4052-92-0	3-(Chlorosulfonyl)benzoyl Chloride	98	223-759-1

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
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 not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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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 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:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4052-92-0: 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: Liquid
Color: almost colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 18.00 - 20.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: decomposes
Specific Gravity/Density:
Molecular Formula: C7H4Cl2O3S
Molecular Weight: 239.08

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

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4052-92-0: DM6636400 LD50/LC50:
CAS# 4052-92-0: Draize test, rabbit, eye: 50 uL Moderate; Oral, rat: LD50 = 1780 mg/kg.
Carcinogenicity:
3-(Chlorosulfonyl)benzoyl Chloride - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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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: Not available.
Risk Phrases:
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
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# 4052-92-0: No information available.
Canada
CAS# 4052-92-0 is listed on Canada's NDSL List.
CAS# 4052-92-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4052-92-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-氯磺酰苯甲酰氯 在 ammonium hydroxide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-carbamoylbenzene-1-sulfonyl chloride
  参考文献：
  名称：

  一种含氮杂环衍生物及其应用

  摘要：

  一种含氮杂环衍生物及其应用。本发明涉及式(V)化合物和制备方法及其在医药上的应用。具体而言，本发明涉及通式为(V)化合物的衍生物和制备方法以及其作为治疗剂，在预防和治疗高脂血症，高胆固醇血症，高甘油三酯血症，肝脂肪变性，II型糖尿病，高血糖症，肥胖症或胰岛素抵抗症，代谢综合征和抗肿瘤药物中的用途。本文公开的化合物还能降低总胆固醇，LDL‑胆固醇和甘油三酯，并且增加肝LDL受体表达，抑制PCSK9表达。

  公开号：

  CN107540636A
• 作为产物：
  描述：

  sodium 3-carboxybenzenesulfonate 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以95%的产率得到3-氯磺酰苯甲酰氯
  参考文献：
  名称：

  化学合成和连续合成间氨基磺酰基苯甲酰胺类似物。

  摘要：

  为了合成以其生物活性而闻名的小分子氨磺酰基苯甲酰胺类似物，已从间氯磺酰基苯甲酰氯开始开发了一种化学选择性方法。尽管已经报道了分批进行化学选择的方法，但是连续流方法显示出在较高温度下且没有催化剂的情况下选择性的提高。在相似的条件下，总共合成了15种类似物，产率在65％至99％之间。这是间氨基磺酰基苯甲酰胺类似物的首次自动化和化学选择性合成。

  DOI：

  10.3762/bjoc.13.33

文献信息

• 四氢苯并噻吩化合物
  申请人：广东东阳光药业有限公司

  公开号：CN105524053B

  公开（公告）日：2020-06-05

  本发明的目的在于提供具有肠道磷酸转运蛋白(NPT‑IIb)抑制作用、作为高磷血症的治疗剂和/或预防剂的有效成分的四氢苯并噻吩化合物或其立体异构体、几何异构体、互变异构体、氮氧化物、水合物、溶剂化物、代谢产物、酯、药学上可接受的盐或它的前药和药物组合物。
• [EN] NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS<br/>[FR] NOUVEAUX BENZÈNESULFONAMIDES COMME BLOQUEURS DE CANAUX CALCIQUES
  申请人：ABBOTT LAB

  公开号：WO2010083264A1

  公开（公告）日：2010-07-22

  The present application relates to calcium channel inhibitors comprising compounds of formula (I), formula (II), formula (III), or formula (IV), wherein L1, R1, R2, R3, R4, R5, R6, R7 and Rc are as defined in the specification. The present application also relates to compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

  本申请涉及包括公式(I)、公式(II)、公式(III)或公式(IV)化合物的钙通道抑制剂，其中L1、R1、R2、R3、R4、R5、R6、R7和Rc如说明书中所定义。本申请还涉及包含此类化合物的组合物，以及使用此类化合物和组合物治疗状况和疾病的方法。
• Glycan-Directed Grafting-from Polymerization of Immunoglobulin G: Site-Selectively Modified IgG–Polymer Conjugates with Preserved Biological Activity
  作者：Chih-Hung Chou、Po-Chiao Lin

  DOI：10.1021/acs.biomac.8b00669

  日期：2018.7.9

  attachment of polymer chains. According to the proposed strategy, a site-selectively modified anticoncanavalin A (Con A) antibody–PNIPAAm conjugate showed 6-times higher efficiency in the binding of targeted Con A antigen to a randomly conjugated anti-Con A antibody–PNIPAAm conjugate. In this study, we developed the first chemical strategy for the site-specific preparation of IgG–polymer conjugates with conserved

  用于治疗恶性肿瘤的抗体和相关抗体药物已在靶向癌症治疗方面取得进展。多种抗体偶联物的制备对于临床前和临床应用至关重要。然而，精确控制标记抗体上特定位置的分子对于保持其天然功能至关重要。在这项研究中，使用合成的硼酸（BA）-甲苯磺酰基引发剂来引发IgG的聚糖定向修饰，并且获得的IgG大分子引发剂允许多聚N的生长。-异丙基丙烯酰胺（PNIPAAm）特定在Fc域上链。因此，PNIPAAm链的位置远离关键的抗原结合域（Fab），这可以合理地防止聚合物链附着后生物活性的丧失。根据提出的策略，定点修饰的抗伴刀豆球蛋白A（Con A）抗体-PNIPAAm偶联物在靶向Con A抗原与随机偶联的抗Con A抗体-PNIPAAm偶联物结合中显示出6倍的效率。在这项研究中，我们开发了第一种化学策略，用于特定位置制备具有保守生物活性和完整聚糖结构的IgG聚合物共轭物。
• AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS
  申请人：Novira Therapeutics, Inc.

  公开号：US20150197493A1

  公开（公告）日：2015-07-16

  Provided herein are compounds useful for the treatment of HBV infection in a subject in need thereof, pharmaceutical compositions thereof, and methods of inhibiting, suppressing, or preventing HBV infection in the subject.

  本文提供了一些用于治疗HBV感染的化合物，以及其药物组合物和抑制、抑制或预防受试者HBV感染的方法。
• METHOD FOR PRODUCING DICARBOXYLIC ACID COMPOUND
  申请人：DAIICHI SANKYO COMPANY, LIMITED

  公开号：US20180148424A1

  公开（公告）日：2018-05-31

  It is an object of the present invention to provide an excellent method for producing an excellent therapeutic agent. The solution of the present invention is as shown in the following scheme: wherein R 1 represents a C1-C6 alkyl group, R 2 represents a C1-C6 alkyl group, and R 3 represents a C1-C6 alkyl group.

  本发明的目的是提供一种优秀的生产优秀治疗剂的方法。 本发明的解决方案如下图所示： 其中R1代表C1-C6烷基，R2代表C1-C6烷基，R3代表C1-C6烷基。