4-(3-氯-2-氰苯氧基)苯-1-磺酰氯 | 175136-72-8

• 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-(3-氯-2-氰苯氧基)苯-1-磺酰氯
• 英文名称: 4-(3-Chloro-2-cyano-phenoxy)-phenyl sulfonyl chloride
• 英文别名: 4-(3-chloro-2-cyanophenoxy)benzene-1-sulfonyl chloride；4-(3-chloro-2-cyano-phenoxy)-benzenesulfonyl chloride；4-(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride；4(3-chloro-2-cyanophenoxy)benzenesulfonyl chloride
• CAS: 175136-72-8
• 化学式: C₁₃H₇Cl₂NO₃S
• mdl: MFCD00052710
• 分子量: 328.175
• InChiKey: SCSJREMEEIARHE-UHFFFAOYSA-N

物化性质

• 熔点：
  137-139°C
• 沸点：
  457.1±45.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 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：
  75.5
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34
• 海关编码：
  2926909090
• 危险品运输编号：
  UN 3261

SDS

Name:	4-(3-Chloro-2-cyanophenoxy)benzene-1-sulfonyl chloride tech Material Safety Data Sheet
Synonym:
CAS:	175136-72-8

Section 1 - Chemical Product MSDS Name:4-(3-Chloro-2-cyanophenoxy)benzene-1-sulfonyl chloride tech Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175136-72-8	4-(3-Chloro-2-cyanophenoxy)benzene-1-s		unlisted

Hazard Symbols: C
Risk Phrases: 20/21/22 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. 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# 175136-72-8: 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: white - off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 - 139 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: C13H7Cl2NO3S
Molecular Weight: 328

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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.
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# 175136-72-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(3-Chloro-2-cyanophenoxy)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 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 175136-72-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175136-72-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175136-72-8 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-(3-氯-2-氰苯氧基)苯-1-磺酰氯 在 sodium hydroxide 、 氨 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 4-(3-Chloro-2-cyano-phenoxy)-N-[1-(4-chloro-phenylamino)-1-methylsulfanyl-meth-(Z)-ylidene]-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。
• CHEMICAL COMPOUNDS
  申请人：Pfizer Limited

  公开号：US20140315878A1

  公开（公告）日：2014-10-23

  The present invention relates to new sulfonamide URAT-1 inhibitor compounds of formula (I) or a pharmaceutically acceptable salt thereof: to compositions containing them, to processes for their preparation and to intermediates used in such processes, and to methods of treatment, wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 are as defined in the description.

  本发明涉及新的磺胺类URAT-1抑制剂化合物的化学式(I)或其药用盐：含有它们的组合物，其制备过程以及用于这种过程的中间体，以及治疗方法，其中R1、R2、R3、R4、R5和R6如描述中所定义。
• 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。
• 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。
• [EN] HETEROCYCLIC COMPOUNDS FOR TREATING HELMINTH INFECTIONS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES UTILISABLES EN VUE DU TRAITEMENT D'INFECTIONS HELMINTHIQUES
  申请人：DU PONT

  公开号：WO2012177668A1

  公开（公告）日：2012-12-27

  Disclosed are compounds of Formula 1, N-oxides, and salts thereof, wherein L is (CR13aR13b)t,, CR14=CR14, C≡C, CR15aR15bX, XCR15aR15b, CO, O, S(O)p, NR5, CONR5, NR5CO, NR5SO2 or SO2NR5; X is O, S, SO, SO2, or NR5; and Q, R1, R2, R3, R5, R13a, R13b, R14, R15,a R15b t, p, n and m are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula 1 and methods for treating helminth infections comprising administration to an animal a parasiticidally effective amount of a compound or a composition of the invention.

  揭示了Formula 1的化合物，N-氧化物及其盐，其中L为(CR13aR13b)t，CR14=CR14，C≡C，CR15aR15bX，XCR15aR15b，CO，O，S(O)p，NR5，CONR5，NR5CO，NR5SO2或SO2NR5；X为O，S，SO，SO2或NR5；Q，R1，R2，R3，R5，R13a，R13b，R14，R15，a，R15b，t，p，n和m如披露中所定义。还揭示了含有Formula 1的化合物的组合物以及治疗蠕虫感染的方法，包括向动物施用本发明的化合物或组合物的寄生虫效果有效量。