2-(4-羧基苯氧基)-2-新戊酰基-2,4-二氯乙酰苯胺 | 58161-93-6

• 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-羧基苯氧基)-2-新戊酰基-2,4-二氯乙酰苯胺
• 中文别名: 2-(4-羧基苯氧基)-2-特戊酰-2,4-二氯乙酰苯胺；2-(4-羧基苯氧基)-2-新戊酰基-2',4'-二氯乙酰苯胺
• 英文名称: N-[2-[4-carboxyphenoxy]-4,4-dimethyl-3-oxopentanoyl]-2,4-dichloroaniline
• 英文别名: Benzoic acid, 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-；4-[1-(2,4-dichloroanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzoic acid
• CAS: 58161-93-6
• 化学式: C₂₀H₁₉Cl₂NO₅
• 分子量: 424.281
• InChiKey: SJDRWLQBNZCZBG-UHFFFAOYSA-N

物化性质

• 密度：
  1.3819 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 安全说明：
  S24/25

SDS

Name:	2-(4-Carboxyphenoxy)-2-Pivaloyl-2 4 -Dichloroacetanilide 96% (HPLC) Material Safety Data Sheet
Synonym:	Color Coupling Agent
CAS:	58161-93-6

Section 1 - Chemical Product MSDS Name:2-(4-Carboxyphenoxy)-2-Pivaloyl-2 4 -Dichloroacetanilide 96% (HPLC) Material Safety Data Sheet
Synonym:Color Coupling Agent

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
58161-93-6	2-(4-Carboxyphenoxy)-2-Pivaloyl-2',4'-	96	261-146-0

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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

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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. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 58161-93-6: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 minimize contact with skin.
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: Crystalline powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C20H19Cl2NO5
Molecular Weight: 424.27

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 58161-93-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Carboxyphenoxy)-2-Pivaloyl-2',4'-Dichloroacetanilide - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 58161-93-6: No information available.
Canada
CAS# 58161-93-6 is listed on Canada's DSL List.
CAS# 58161-93-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 58161-93-6 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：

  2-(4-羧基苯氧基)-2-新戊酰基-2,4-二氯乙酰苯胺 、 N,N-二乙基对苯二胺盐酸盐 在 sodium hydroxide 、 dipotassium peroxodisulfate 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 N-[4,4-dimethyl-2-[4-diethylaminophenyl]imino-3-oxopentanoyl]-2,4-dichloroaniline
  参考文献：
  名称：

  Thermal imaging methods and materials

  摘要：

  提供了白色染料，其中包括N-酰基取代的芳香氨基显色剂与在偶联碳上以热可去除的离去基取代的染料形成偶联物的偶联产物。采用这些白色染料的热成像系统相对于采用先前技术中含有在热条件下分解为一个或多个气体的基团的白色染料的热成像系统具有减少气泡形成的优势。

  公开号：

  US05350870A1

文献信息

• DNA polymerase beta inhibitors
  申请人：The Johns Hopkins University

  公开号：US10711027B2

  公开（公告）日：2020-07-14

  Methods and compounds are disclosed for irreversibly inhibiting a DNA repair enzyme that possesses lyase activity.

  本研究公开了不可逆地抑制具有裂解酶活性的 DNA 修复酶的方法和化合物。
• DNA POLYMERASE BETA INHIBITORS
  申请人：The Johns Hopkins University

  公开号：US20190202853A1

  公开（公告）日：2019-07-04

  Methods and compounds are disclosed for irreversibly inhibiting a DNA repair enzyme that possesses lyase activity.
• US3994967A
  申请人：——

  公开号：US3994967A

  公开（公告）日：1976-11-30
• US4880432A
  申请人：——

  公开号：US4880432A

  公开（公告）日：1989-11-14
• US5236884A
  申请人：——

  公开号：US5236884A

  公开（公告）日：1993-08-17