恶嗪-1 | 24796-94-9

• 物质功能分类: 染料及颜料 - 染料
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 中文名称: 恶嗪-1
• 中文别名: 恶嗪1高氯酸盐
• 英文名称: oxazine 1 perchlorate
• 英文别名: Phenoxazin-5-ium, 3,7-bis(diethylamino)-, perchlorate (1:1)；[7-(diethylamino)phenoxazin-3-ylidene]-diethylazanium;perchlorate
• CAS: 24796-94-9
• 化学式: C₂₀H₂₆N₃O*ClO₄
• 分子量: 423.897
• InChiKey: PKZWDLHLOBYXKV-UHFFFAOYSA-M

物化性质

• 熔点：
  228-230 °C
• 密度：
  1.2527 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.17
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S33,S37/39,S7/9
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090

SDS

Name:	Oxazine 1 perchlorate laser grade 99+% (uv-vis) Material Safety Data Sheet
Synonym:
CAS:	24796-94-9

Section 1 - Chemical Product MSDS Name:Oxazine 1 perchlorate laser grade 99+% (uv-vis) Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24796-94-9	Oxazine 1 perchlorate, laser grade	>99.0	246-465-5

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Dust may cause mechanical irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Dust is irritating to the respiratory tract. 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 immediately.
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. Remove contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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. 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. Use with adequate ventilation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24796-94-9: 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:
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: Powder
Color: dark green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 198 C - 102 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: C20H26ClN3O5
Molecular Weight: 423.89

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, 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# 24796-94-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Oxazine 1 perchlorate, laser grade - 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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 7/9 Keep container tightly closed and in a
well-ventilated place.
S 28A After contact with skin, wash immediately with
plenty of water.
S 33 Take precautionary measures against static
discharges.
S 37 Wear suitable gloves.
S 37/39 Wear suitable 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# 24796-94-9: No information available.
Canada
CAS# 24796-94-9 is listed on Canada's NDSL List.
CAS# 24796-94-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24796-94-9 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

生物活性

Oxazine 1 perchlorate 是一种对称阳离子染料（激发光谱 λ_ex=653 nm，发射光谱 λ_em=666 nm）。

体外研究

Oxazine 1 perchlorate (OX1) 在稀水溶液中分别吸收和发出大约 653 和 666 nm 的光线。它在极性溶剂的广泛浓度范围内可溶解。Oxazine 1 perchlorate 的光学光谱通常包含一个强烈的吸收带（λ_max），该带旁边有一个较短波长处的小肩峰。在水溶液中低于约 1×10^-4 M 浓度时，Oxazine 1 perchlorate 几乎以单体形式存在。正如预期的那样，在极性各向异性介质中，Oxazine 1 perchlorate 只显示一个单一荧光带，类似于普通极性液体溶剂的行为。

反应信息

• 作为反应物：
  描述：

  恶嗪-1 在 sodium hydroxide 、 sodium dithionite 作用下， 以 水 、 甲苯 为溶剂， 反应 3.25h， 生成 3-N,3-N,7-N,7-N-tetraethyl-3H-phenoxazine-3,7-diamine
  参考文献：
  名称：

  [EN] ACTIVATIBLE DYES
  [FR] COLORANTS ACTIVABLES

  摘要：

  公开号：

  WO2009036351A3
• 作为产物：
  描述：

  N,N-二乙基-4-亚硝基苯胺 、 3-羟基-N,N-二乙基苯胺 在 高氯酸 、 air 作用下， 以 乙醇 为溶剂， 生成 恶嗪-1
  参考文献：
  名称：

  Synthesis and Antimalarial Property of Orally Active Phenoxazinium Salts

  摘要：

  Phenoxazinium salts were found to display good antimalarial efficacy in vivo against Plasmodium berghei. Several compounds provided 100% parasitemia clearance at a dose of 20-30 mg kg(-1) x 4 days (ip) and good survival effects without obvious acute toxicity. They also showed excellent potency by oral administration. A preliminary pharmacokinetic study revealed that the oral availability of 1a was excellent.

  DOI：

  10.1021/jm070201e

文献信息

• Optical sensor conjugates for detecting reactive oxygen and/or reactive nitrogen species in vivo
  申请人：Hilderbrand Scott A.

  公开号：US09636423B2

  公开（公告）日：2017-05-02

  The present invention provides methods and compositions based on optical sensor conjugates that are useful for detecting reactive oxygen, reactive nitrogen, or both species that are a direct result of inflammation caused by tissue damage.

  本发明提供了基于光学传感器共轭物的方法和组合物，用于检测由组织损伤引起的炎症直接产生的活性氧、活性氮或两者的物种。
• Oxazine Conjugated Nanoparticle Detects in Vivo Hypochlorous Acid and Peroxynitrite Generation
  作者：Peter Panizzi、Matthias Nahrendorf、Moritz Wildgruber、Peter Waterman、Jose-Luiz Figueiredo、Elena Aikawa、Jason McCarthy、Ralph Weissleder、Scott A. Hilderbrand

  DOI：10.1021/ja903922u

  日期：2009.11.4

  The current lack of suitable probes has limited the in vivo imaging of reactive oxygen/nitrogen species (ROS/RNS). ROS/RNS are often generated by ischemia-induced inflammation; defining the extent of tissue involvement or ROS/RNS-related damage would have a significant clinical impact. We present the preparation and demonstration of a fluorogenic sensor for monitoring peroxynitrite (ONOO-) and myeloperoxidase (MIPO) mediated hypochlorous acid (HOCl/OCl-) production. The sensor consists of a long circulating biocompatible nanoparticle that targets phagocytic cells in vivo and is coated with similar to 400 quenched oxazine fluorophores that are released by reaction with HOCl or ONOO- but are stable toward oxidants such as hydroxyl radical, hydrogen peroxide, and superoxide. MPO-dependent probe activation is chloride ion dependent and is negated in flow cytometry studies of MPO inhibitor treated neutrophils. Fluorescence reflectance imaging and microscopic fluorescence imaging in mouse hearts after myocardial infarction showed probe release into neutrophil-rich ischemic areas, making this ROS/RNS sensor a novel prognostic indicator.
• Method for Marking Materials
  申请人：Champ Simon

  公开号：US20080042106A1

  公开（公告）日：2008-02-21

  The invention relates to a method for the marking of materials with coded microparticies, wherein coded microparticles which are obtainable by (i) polymerization of at least one water-soluble monoethylenically unsaturated monomer in the presence of at least one ethylenically unsaturated monomer having at least two double bonds in the molecule by inverse water-in-oil suspension polymerization, doped nanoparticles being used as the suspending medium, (ii) emulsion polymerization of water-insoluble monoethylenically unsaturated monomers with from 0 to 10% by weight, based on the monomer mixture, of at least one ethylenically unsaturated monomer having at least two double bonds in the molecule, doped nanopartices being used as an emulsifier for stabilizing the disperse phase, (iii) polymerization of at least one ethylenically unsaturated monomer together with a copolymerizable dye which has an ethylenically unsaturated double bond, and, if appropriate, agglomeration of these partices or (iv) agglomeration of at least two different groups of microparticles which differ in their absorption, emission and/or scattering of electromagnetic radiation to give aggregates having a mean particle diameter of from 300 μm to 500 μm are used, the use of the coded microparticles for the marking of materials and the materials marked with the microparticles.
• DEGRADABLE TAGGANT AND METHOD OF MAKING AND USING THEREOF
  申请人：Lambert Christopher R.

  公开号：US20100288943A1

  公开（公告）日：2010-11-18

  The present invention is a low-cost, easily deployed, degradable taggant that can be dispersed over a wide area to serve as a witness to activity in the area and for queuing of other sensors. The taggant enables nearly real-time change detection within the treated area using one or more simple optical sensing techniques.
• PHOTOCHROME- OR NEAR IR DYE-COUPLED POLYMERIC MATRICES FOR MEDICAL ARTICLES
  申请人：Meyering Emily R. Rolfes

  公开号：US20120082713A1

  公开（公告）日：2012-04-05

  The invention provides polymers comprising pendent photochrome or near IR dye groups, as well as polymeric matrices made from these polymers, which can be used as or in association with a medical article. The polymers can be synthesized using methods that facilitate the preparation of medical articles having good biocompatibility. Exemplary polymeric matrices are in the form of lubricious coatings on medical devices, such as catheters. Visualization by irradiation of the photochrome or near IR dye can improve detection of the polymeric matrix on a device or in the body. This, in turn can improve aspects of a medical procedure, such as device insertion or matrix formation, as well as being useful for assessing the quality of the matrix.