4-(2-氯-6-硝基苯氧基)苯-1-磺酰氯 | 175135-00-9

• 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-(2-氯-6-硝基苯氧基)苯-1-磺酰氯
• 英文名称: 4-(2-chloro-6-nitrophenoxy)benzenesulfonyl chloride
• 英文别名: 4-(2-Chloro-6-nitrophenoxy)benzene-1-sulfonyl chloride
• CAS: 175135-00-9
• 化学式: C₁₂H₇Cl₂NO₅S
• 分子量: 348.163
• InChiKey: CRTUVOFOPIFTQS-UHFFFAOYSA-N

物化性质

• 熔点：
  125 °C
• 沸点：
  425.0±45.0 °C(Predicted)
• 密度：
  1.579±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2909309090

SDS

Name:	4-(2-Chloro-6-nitrophenoxy)benzene-1-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:
CAS:	175135-00-9

Section 1 - Chemical Product MSDS Name:4-(2-Chloro-6-nitrophenoxy)benzene-1-sulfonyl chloride 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175135-00-9	4-(2-Chloro-6-nitrophenoxy)benzene-1-s	97%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
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.

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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 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.

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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.
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.

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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# 175135-00-9: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: pale yellow - white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 125 - 27 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: C12H7Cl2NO5S
Molecular Weight: 348

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases, alcohols, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175135-00-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(2-Chloro-6-nitrophenoxy)benzene-1-sulfonyl 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# 175135-00-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175135-00-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175135-00-9 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：

  4-(2-氯-6-硝基苯氧基)苯-1-磺酰氯 在 氨 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以94.8%的产率得到4-(2-chloro-6-nitrophenoxy)benzenesulfonamide
  参考文献：
  名称：

  取代的磺酰基-N-羟基胍衍生物作为潜在的抗肿瘤剂的合成及细胞毒性评估。

  摘要：

  以铅化合物LY-181984为基础，设计合成了一系列磺酰基-N-羟基胍衍生物，作为潜在的抗癌药进行细胞毒性评价。用羟基胍代替前导化合物的脲基部分提供了稳定的细胞毒剂。磺酰基-N-羟基胍衍生物的构象，例如N-（4-氯苯基）-N'-[（苯并[2,1,3]噻二唑-4-基）磺酰基] -N“-羟基胍（4g），使用HMBC NMR，理论计算和X射线晶体学研究表明，这两个芳环堆叠在一起，并评估了这些衍生物对5种人类肿瘤细胞系的体外细胞毒性，包括HepG2，TSGH 8302，COLO 205，KB和MOLT -4。衍生化合物对人肿瘤细胞系的细胞毒活性等于或大于先导化合物。N-（4-氯苯基）-N'-[[3,5-二氯-4-（4-硝基苯氧基）苯基]磺酰基]-N“-羟基胍（4n）和N-（4-氯苯基）-N'- [[3，5-二氯-4-（2-氯-4-硝基苯氧基）苯基]磺酰基] -N”-羟基胍（4o）对实体瘤细胞系表现

  DOI：

  10.1021/jm9607818

文献信息

• 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。
• A Sulfonamide Sialoside Analogue for Targeting Siglec-8 and -F on Immune Cells
  作者：Corwin M. Nycholat、Shiteng Duan、Eva Knuplez、Charli Worth、Mila Elich、Anzhi Yao、Jeremy O’Sullivan、Ryan McBride、Yadong Wei、Steve M. Fernandes、Zhou Zhu、Ronald L. Schnaar、Bruce S. Bochner、James C. Paulson

  DOI：10.1021/jacs.9b05769

  日期：2019.9.11

  im-munoglobulin-like cell surface receptors have emerged as attractive targets for cell directed therapies due to their restricted expression on immune cells, endocytic properties and ability to modulate receptor signaling. Human Siglec-8, for instance has been identified as a therapeutic target for the treatment of eosinophil and mast cell disorders. A promising strategy to target Sig-lecs involves the

  Siglec 家族的唾液酸结合免疫球蛋白样细胞表面受体已成为细胞定向治疗的有吸引力的靶点，因为它们在免疫细胞上的表达受限、内吞特性和调节受体信号的能力。例如，人类 Siglec-8 已被确定为治疗嗜酸性粒细胞和肥大细胞疾病的治疗靶点。靶向 Sig-lecs 的一个有前景的策略涉及使用具有多价展示 Siglec 配体的脂质体纳米颗粒。这种方法的一个关键挑战是识别目标 Siglec 的高亲和力配体。在这里，我们报告了 Siglec-8 的高亲和力配体及其最接近的鼠功能直向同源物 Siglec-F 的开发，它能够将脂质体靶向表达 Siglec-8 或 -F 的细胞。筛选了 156 个合成的 9-N-磺酰基唾液酸类似物的聚糖微阵列库，以识别潜在的先导化合物。最佳配体，9-N-(2-萘基磺酰基)-Neu5Acα2-3-[6-O-磺基]-Galβ1-4GlcNAc(6'-O-磺基NSANeu5Ac)结
• Antagonists of melanin concentrating hormone effects on the melanin concetrating hormone receptor
  申请人：——

  公开号：US20030229119A1

  公开（公告）日：2003-12-11

  The present invention relates to the antagonism of the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor which is useful for the prevention or treatment of eating disorders, weight gain, obesity, abnormalities in reproduction and sexual behavior, thyroid hormone secretion, diuresis and water/electrolyte homeostasis, sensory processing, memory, sleeping, arousal, anxiety, depression, seizures, neurodegeneration and psychiatric disorders.

  本发明涉及通过黑素浓缩激素受体对黑素浓缩激素（MCH）效果的拮抗，对于预防或治疗进食障碍、体重增加、肥胖、生殖和性行为异常、甲状腺激素分泌、利尿和水/电解质平衡、感觉处理、记忆、睡眠、觉醒、焦虑、抑郁、癫痫发作、神经退行性疾病和精神疾病是有用的。
• Divergent Structure–Activity Relationships of Structurally Similar Acetylcholinesterase Inhibitors
  作者：C. David Andersson、Nina Forsgren、Christine Akfur、Anders Allgardsson、Lotta Berg、Cecilia Engdahl、Weixing Qian、Fredrik Ekström、Anna Linusson

  DOI：10.1021/jm400990p

  日期：2013.10.10

  structurally similar compound classes proved to have distinctly divergent SARs in terms of their inhibition capacity of AChE. Eight X-ray structures revealed that the two sets have different conformations in PAS. Furthermore, thermodynamic profiles of the binding between compounds and AChE revealed class-dependent differences of the entropy/enthalpy contributions to the free energy of binding. Further

  乙酰胆碱酯酶（AChE）与N- [2-（二乙氨基）乙基]苯磺酰胺和N组成的两种化合物之间的分子相互作用使用有机合成，酶促测定，X射线晶体学和热力学分析研究了[[2-（二乙氨基）乙基]苯甲烷磺酰胺。抑制剂的芳香特性发生了变化，从而在抑制剂与AChE的外围阴离子位点（PAS）之间建立了结构-活性关系（SAR）。就其对AChE的抑制能力而言，两种结构相似的化合物类别被证明具有明显不同的SAR。八个X射线结构表明，两组在PAS中具有不同的构象。此外，化合物与AChE之间结合的热力学图谱揭示了熵/焓对结合自由能的类别依赖性差异。熵有利化合物类别的进一步发展导致合成了最有效的抑制剂，并超越了已建立的SAR。不同的SAR将用于将AChE的可逆抑制剂发展为神经药抑制的AChE的激活剂。
• N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES
  申请人：GRIFFIOEN Gerard

  公开号：US20100197703A1

  公开（公告）日：2010-08-05

  This invention provides thiazolylpiperazine derivatives, and N-sulfonyl heterocyclic derivatives including phenyl- and benzyl-thiazolylpiperidine derivatives, and pharmaceutically acceptable salts thereof, which are useful active ingredients for administration in a method for the treatment of an α-synucleopathy such as Parkinson's disease, diffuse Lewy body disease, traumatic brain injury, amyotrophic lateral sclerosis, Niemann-Pick disease, Hallervorden-Spatz syndrome, Down syndrome, neuroaxonal dystrophy, multiple system atrophy and Alzheimer's disease. This invention also provides methods for making such derivatives, and pharmaceutical compositions including such derivatives together with pharmaceutically acceptable excipients.

  该发明提供了噻唑基哌嗪衍生物，以及包括苯基和苄基噻唑基哌啶衍生物的N-磺酰杂环衍生物，以及其药学上可接受的盐，这些是用于治疗α-突触核蛋白病的有效活性成分，如帕金森病、弥漫性小体病、创伤性脑损伤、肌萎缩侧索硬化症、尼曼-匹克病、哈勒沃登-施帕茨综合征、唐氏综合征、神经轴突萎缩、多系统萎缩和阿尔茨海默病的治疗方法。该发明还提供了制备这些衍生物的方法，以及包括这些衍生物和药学上可接受的辅料的药物组合物。