2-(4-甲氧基苯氧基)-5-硝基苯-1-羰酰氯 | 175135-69-0

• 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: 2-(4-甲氧基苯氧基)-5-硝基苯-1-羰酰氯
• 英文名称: 2-(4-methoxyphenoxy)-5-nitrobenzoyl chloride
• CAS: 175135-69-0
• 化学式: C₁₄H₁₀ClNO₅
• 分子量: 307.69
• InChiKey: ZHLCCUQAQOFEBB-UHFFFAOYSA-N

物化性质

• 沸点：
  411.0±40.0 °C(Predicted)
• 密度：
  1.384±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

SDS

Name:	2-(4-Methoxyphenoxy)-5-nitrobenzene-1-carbonyl chloride tech Material Safety Data Sheet
Synonym:	2-(4-Methoxyphenoxy)-5-nitrobenzoyl chloride
CAS:	175135-69-0

Section 1 - Chemical Product MSDS Name:2-(4-Methoxyphenoxy)-5-nitrobenzene-1-carbonyl chloride tech Material Safety Data Sheet
Synonym:2-(4-Methoxyphenoxy)-5-nitrobenzoyl chloride

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
175135-69-0	2-(4-Methoxyphenoxy)-5-nitrobenzoyl ch		unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
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. Avoid generating dusty conditions. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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. Store under nitrogen.

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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# 175135-69-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
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
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 91 - 93 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H10ClNO5
Molecular Weight: 308

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Dust generation, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 175135-69-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Methoxyphenoxy)-5-nitrobenzoyl 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# 175135-69-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 175135-69-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 175135-69-0 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：

  邻溴苄胺 、 2-(4-甲氧基苯氧基)-5-硝基苯-1-羰酰氯 在 4-二甲氨基吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Fragment-Based Design of Small Molecule X-Linked Inhibitor of Apoptosis Protein Inhibitors

  摘要：

  We report on a general structure- and NMR-based approach to derive druglike small molecule inhibitors of protein-protein interactions in a rapid and efficient manner. We demonstrate the utility of the approach by deriving novel and effective SMAC mimetics targeting the antiapoptotic protein X-linked inhibitor of apoptosis protein (XIAP). The XIAP baculovirus IAP repeat 3 (Bir3) domain binds directly to the N-terminal of caspase-9, thus inhibiting programmed cell death. It has been shown that in the cell this interaction can be displaced by the protein second mitochondrial activator of caspases (SMAC) and that its N-terminal tetrapeptide region (NH2-AVPI, Ala-Val-Pro-Ile) is responsible for this activity. However, because of their limited cell permeability, synthetic SMAC peptides are inefficient when tested in cultured cells, limiting their use as potential chemical tools or drug candidates against cancer cells. Hence, as an application, we report on the derivation of novel, selective, druglike, cell permeable SMAC mimics with cellular activity.

  DOI：

  10.1021/jm8006992
• 作为产物：
  描述：

  2-(4-甲氧基苯氧基)-5-硝基苯甲酸 在 氯化亚砜 作用下， 生成 2-(4-甲氧基苯氧基)-5-硝基苯-1-羰酰氯
  参考文献：
  名称：

  2-(4-Methoxyphenoxy)-5-nitro-N-(4-sulfamoylphenyl)benzamide activates Kir6.2/SUR1 KATP channels

  摘要：

  2-(4-Methoxyphenoxy)-5-nitro-N-(4-sulfamoylphenyl)benzamide and close analogues inhibit glucose stimulated insulin release through activation of Kir6.2/SUR1 K-ATP channels of beta cells. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.057

文献信息

• Organosulfur inhibitors of tyrosine phosphatases
  申请人：Wang Jing

  公开号：US20050065118A1

  公开（公告）日：2005-03-24

  Organosulfur modulators of tyrosine phosphatases and their use in the treatment of disease are disclosed.

  本发明揭示了酚磷酸酶的有机硫调节剂及其在治疗疾病中的应用。
• Azonafide Derivatives, Methods for Their Production and Pharmaceutical Compositions Therefrom
  申请人：Van Quaquebeke Eric

  公开号：US20080292585A1

  公开（公告）日：2008-11-27

  Azonafide derivatives are obtained by reacting azonafide with aldehydes, acyl halides, thioacyl halides, monoisocyanates, isothiocyanates, sulfonyl halides, monohalogenoalkanes, monohalogenoalkenes or monohalogenoalkynes, and are useful as active ingredients of pharmaceutical compositions for the prevention and treatment of cell proliferative disorders, in particular several forms of Cancer.

  Azonafide衍生物是通过将azonafide与醛类、酰卤、硫酰卤、单异氰酸酯、异硫氰酸酯、磺酰卤、单卤代烷烃、单卤代烯烃或单卤代炔烃反应得到的，并且它们可用作制药组合物的活性成分，用于预防和治疗细胞增殖性疾病，特别是几种癌症。
• ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES
  申请人：Structural Bioinformatics Inc.

  公开号：EP1446110A2

  公开（公告）日：2004-08-18
• AZONAFIDE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS THEREFROM
  申请人：Unibioscreen S.A.

  公开号：EP1960365A2

  公开（公告）日：2008-08-27
• SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS
  申请人：Universiteit Gent

  公开号：EP1963255A1

  公开（公告）日：2008-09-03