1-(2,4,6-三氯苯基)-3-(硝基苯胺)-2-吡唑啉-5-酮 | 34320-82-6

• 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: 1-(2,4,6-三氯苯基)-3-(硝基苯胺)-2-吡唑啉-5-酮
• 英文名称: 3-(4-Nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazoline-5-one
• 英文别名: 3-(4-nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one；3-(p-Nitroanilino)-1-(2,4,6-trichlorphenyl)-5-pyrazolon；1-(2,4,6-Trichlorphenyl)-3-(p-nitranilino)-5-pyrazolon；5-(4-nitro-anilino)-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one；3-(p-nitroanilino)-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one；3-(4-nitroanilino)-1-(2,4,6-trichlorophenyl)-5-pyrazolone；3H-Pyrazol-3-one, 2,4-dihydro-5-[(4-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-；5-(4-nitrophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
• CAS: 34320-82-6
• 化学式: C₁₅H₉Cl₃N₄O₃
• 分子量: 399.62
• InChiKey: NTDRZJLMIOFNLK-UHFFFAOYSA-N

物化性质

• 密度：
  1.8938 (rough estimate)
• 熔点：
  299-304 °C
• 沸点：
  541.7±60.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  90.5
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 安全说明：
  S24/25

SDS

Name:	1-(2 4 6-Trichlorophenyl)-3-(P-Nitro-Anilino)-2-Pyrazoline-5-One 97% Material Safety Data Sheet
Synonym:	None known
CAS:	34320-82-6

Section 1 - Chemical Product MSDS Name:1-(2 4 6-Trichlorophenyl)-3-(P-Nitro-Anilino)-2-Pyrazoline-5-One 97% Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
34320-82-6	1-(2,4,6-Trichlorophenyl)-3-(P-Nitro-A	97	251-935-8

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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
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. Use with adequate ventilation. 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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 34320-82-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid or liquid
Color: yellow
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 applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C15H9Cl3N4O3
Molecular Weight: 399.61

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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:
Oxidizing agents.
Hazardous Decomposition Products:
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# 34320-82-6: UQ9700000 LD50/LC50:
CAS# 34320-82-6: Dermal, guinea pig: LD50 = >1 gm/kg; Oral, rat: LD50 = >3200 mg/kg.
Carcinogenicity:
1-(2,4,6-Trichlorophenyl)-3-(P-Nitro-Anilino)-2-Pyrazoline-5-One - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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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.
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# 34320-82-6: No information available.
Canada
CAS# 34320-82-6 is listed on Canada's DSL List.
CAS# 34320-82-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 34320-82-6 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为产物：
  描述：

  3--3-methoxy-2',4',6'-trichloropropionanilide 在 羟胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 7.0h， 生成 1-(2,4,6-三氯苯基)-3-(硝基苯胺)-2-吡唑啉-5-酮
  参考文献：
  名称：

  Kim, Chang-Kyu; Debellis, Francesco; Maggiulli, Cataldo A., Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 325 - 328

  摘要：

  DOI：

文献信息

• Method for preparing 2-pyrazolin-5-ones from 1,2,4-oxadiazoles
  申请人：Eastman Kodak Company

  公开号：US04345085A1

  公开（公告）日：1982-08-17

  A method for preparing 2-pyrazolin-5-ones from 1,2,4-oxadiazoles is described. The method comprises forming a liquid reaction system of a base catalyst and a 1,2,4-oxadiazole in an organic liquid reaction medium and heating the reaction system to a temperature sufficient to cause the 1,2,4-oxadiazole to be rearranged to a 2-pyrazolin-5-one.

  描述了一种从1,2,4-噁二唑制备2-吡唑烷酮的方法。该方法包括在有机液体反应介质中形成碱催化剂和1,2,4-噁二唑的液体反应体系，并加热反应体系至足以使1,2,4-噁二唑重排为2-吡唑烷酮的温度。
• Method for preparing 1-aryl-3-arylamino-2-pyrazolin-5-ones from
  申请人：Eastman Kodak Company

  公开号：US04374253A1

  公开（公告）日：1983-02-15

  A method for preparing a 1-aryl-3-arylamino-2-pyrazolin-5-one comprises reacting an N-aryl-3-arylamino-3-oximinopropionamide with an acylating agent in an inert solvent, then heating in contact with a strong acid catalyst and a dehydrating agent in an inert solvent, and then heating in contact with an acid in water and a lower alkanol.

  一种制备1-芳基-3-芳氨基-2-吡唑啉-5-酮的方法，包括将N-芳基-3-芳氨基-3-氧代肟基丙酰胺与酰化试剂在惰性溶剂中反应，然后在惰性溶剂中与强酸催化剂和脱水剂接触加热，接着在水和低碳醇中与酸接触加热。
• A method for preparing 1-aryl-3-arylamino-2-pyrazolin-5-ones
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0076212A2

  公开（公告）日：1983-04-06

  A method for preparing a 1-aryl-3-arylamino-2-pyrazolin-5-one comprises reacting an N-aryl-3-arylamino-3- oximinopropionamide with an acylating agent in an inert solvent, then heating in contact with a strong acid catalyst and a dehydrating agent in an inert solvent, and then heating in contact with an acid in water and a lower alkanol. The 1-aryl-3-arylamino-2-pyrazolin-5-one may be used as a color-forming coupler or as an intermediate in preparing a color-forming coupler which produces a dye in a photographic element.

  制备 1-芳基-3-芳酰胺基-2-吡唑啉-5-酮的方法包括在惰性溶剂中使 N-芳基-3-芳酰胺基-3-氧亚氨基丙酰胺与酰化剂反应，然后在惰性溶剂中与强酸催化剂和脱水剂接触加热，再在水中与酸和低级烷醇接触加热。1- 芳基-3-芳基氨基-2-吡唑啉-5-酮可用作成色耦合剂，或用作制备成色耦合剂的中间体，该成色耦合剂可在感光元件中产生染料。
• Photohardenable compositions and their use in producing images
  申请人：THE MEAD CORPORATION

  公开号：EP0378373A2

  公开（公告）日：1990-07-18

  A photohardenable composition comprises an addition polymerizable or crosslinkable material, a photoinitiator composition capable of initiating polymerization or crosslinking of the polymerizable or crosslinkable material, and a compound of the formula Q represents -C=O or -C-OH, X represents S, O or N which is unsbustituted or substituted with alkyl or aryl groups, R₁ represents H, alkyl, aryl, alkoxy, benzoyl, arloxy, acyl or monosubstituted amino groups. R₂ represents H, alkyl or aryl groups. The composition is preferably contained in microcapsules and is used in photosensitive imaging systems. The five member aromatic group containing the imine moiety functions to reduce the likelihood of short time scale reciprocity failure of the composition and to enable imaging using high intensity radiation sources. An imaging method using the composition is also disclosed.

  一种光硬化组合物包括一种可加成聚合或可交联的材料、一种能引发可聚合或可交联材料聚合或交联的光引发剂组合物，以及一种式中化合物 Q 代表-C=O 或-C-OH，X 代表未被或被烷基或芳基取代的 S、O 或 N，R₁ 代表 H、烷基、芳基、烷氧基、苯甲酰基、芳氧基、酰基或单取代氨基。R₂ 代表 H、烷基或芳基。该组合物最好包含在微胶囊中，用于感光成像系统。含有亚胺分子的五元芳香基团的作用是降低组合物短时间内互易失效的可能性，并能使用高强度辐射源成像。此外，还公开了一种使用该组合物的成像方法。
• Ink jet printing process
  申请人：XEROX CORPORATION

  公开号：EP0985538A2

  公开（公告）日：2000-03-15

  A process comprising (a) incorporating into an ink jet printing apparatus (1) a developing composition comprising a liquid vehicle and a color developer; (2) an oxidizing composition comprising a liquid vehicle and an oxidizing agent; (3) a coloring composition comprising a liquid vehicle and a dye coupler; and (4) a fixing composition comprising a liquid vehicle and a fixative; (b) causing droplets of the developing composition to be ejected in an imagewise pattern onto the substrate; (c) causing droplets of the oxidizing composition to be ejected in an imagewise pattern onto the substrate; (d) causing droplets of the coloring composition to be ejected in an imagewise pattern onto the substrate; and (e) causing droplets of the fixing composition to be ejected in an imagewise pattern onto the substrate; wherein the process results in at least some portions of the substrate bearing images comprising all four of the developing composition, the oxidizing composition, the coloring composition, and the fixing composition, said portions forming a printed image. Specific embodiments of the present invention are directed to the realization of continuous tone and gray scale in images by (1) control of the time at which color forming reactions are quenched by controlling the time period between deposition of the color forming liquids and deposition of the fixing liquid; (2) control of the extent of color forming reactions by limitation of the quantity of one of the color forming liquids; or (3) control of pixel size by drop placement control over the overlap areas of drops of color forming liquids.

  一种工艺，包括(a)在喷墨打印设备中加入(1)显影组合物，该组合物包括液体载体和显色剂；(2)氧化组合物，该组合物包括液体载体和氧化剂；(3)着色组合物，该组合物包括液体载体和染料耦合剂；以及(4)定影组合物，该组合物包括液体载体和定影剂；(b)使显影组合物的液滴按图像方向喷射到基底上；(c) 使氧化组合物的液滴以图像方向的模式喷射到基底上； (d) 使着色组合物的液滴以图像方向的模式喷射到基底上；以及 (e) 使定影组合物的液滴以图像方向的模式喷射到基底上；其中，该过程的结果是基底的至少某些部分带有包含显影组合物、氧化组合物、着色组合物和定影组合物所有四种组合物的图像，所述部分形成印刷图像。本发明的具体实施方案是通过以下方法实现图像的连续色调和灰度：(1) 通过控制成色液的沉积和定影液的沉积之间的时间段来控制成色反应的淬灭时间；(2) 通过限制其中一种成色液的数量来控制成色反应的程度；或 (3) 通过控制成色液滴的重叠区域来控制像素大小。