苯基-P-苯醌 | 363-03-1

• 物质功能分类: 化学试剂 - 有机试剂 - 脂肪酮(含烯醇)
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 苯基-P-苯醌
• 中文别名: 苯基-p-苯醌
• 英文名称: 2-phenyl-1,4-benzoquinone
• 英文别名: phenylbenzoquinone；[1,1'-biphenyl]-2,5-dione；Phenyl-p-benzoquinone；2-phenylcyclohexa-2,5-diene-1,4-dione
• CAS: 363-03-1
• 化学式: C₁₂H₈O₂
• mdl: MFCD00001599
• 分子量: 184.194
• InChiKey: RLQZIECDMISZHS-UHFFFAOYSA-N

物化性质

• 熔点：
  111-115 °C
• 沸点：
  278.14°C (rough estimate)
• 密度：
  1.1336 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi,Xn
• 安全说明：
  S26,S36,S37/39
• 危险类别码：
  R42/43,R36/37/38,R20/21/22
• 海关编码：
  2914399090
• RTECS号：
  DK6650000
• 储存条件：
  室温且干燥

SDS

Name:	Phenyl-P-Benzoquinone 99% (UV-Vis) Material Safety Data Sheet
Synonym:	2,5-Cyclohexadiene-1,4-Dione, 2-Phenyl-; Phenyl-1,4-Benzoquinone
CAS:	363-03-1

Section 1 - Chemical Product MSDS Name:Phenyl-P-Benzoquinone 99% (UV-Vis) Material Safety Data Sheet
Synonym:2,5-Cyclohexadiene-1,4-Dione, 2-Phenyl-; Phenyl-1,4-Benzoquinone

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
363-03-1	2,5-Cyclohexadiene-1,4-Dione, 2-Phenyl	99	206-654-5

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:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Adverse reproductive effects have been reported in animals.
Laboratory experiments have resulted in mutagenic effects.

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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.
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:
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:
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.
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:
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 adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 363-03-1: 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: Powder
Color: yellow crystalline powder
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 112 deg C
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: C12H8O2
Molecular Weight: 184.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, 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# 363-03-1: DK6650000 LD50/LC50:
Not available.
Carcinogenicity:
2,5-Cyclohexadiene-1,4-Dione, 2-Phenyl- - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
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# 363-03-1: No information available.
Canada
CAS# 363-03-1 is listed on Canada's NDSL List.
CAS# 363-03-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 363-03-1 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

TFIIH Modulator-19 是一种小分子，能够诱导三氯二硫すこと（TTD-A 或 p8）二聚体的解离，进而调节 TFIIH 的转录活性。

反应信息

• 作为反应物：
  描述：

  苯基-P-苯醌 在 盐酸 、 溶剂黄146 作用下， 生成 2-Chloro-5-phenylbenzoquinone
  参考文献：
  名称：

  L'ARYLATION DES QUINONES PAR LES SELS DE DIAZONIUM : III. SUR LA SYNTHÈSE DES ARYL-CHLORO-p-BENZOQUINONES

  摘要：

  不可用

  DOI：

  10.1139/v58-120
• 作为产物：
  描述：

  对羟基联苯 在 tris(triphenylphosphine)ruthenium(II) chloride 、 四氯化钛 作用下， 以 二氯甲烷 、 乙酸乙酯 、 苯 为溶剂， 反应 3.5h， 生成 苯基-P-苯醌
  参考文献：
  名称：

  Ruthenium-Catalyzed Oxidation of Phenols with Alkyl Hydroperoxides. A Novel, Facile Route to 2-Substituted Quinones

  摘要：

  DOI：

  10.1021/ja954009q
• 作为试剂：
  描述：

  正癸烯 、 苯基乙炔基三甲基硅烷 在 氧气 、 palladium diacetate 、 三乙胺 、 苯基-P-苯醌 作用下， 以 二甲基亚砜 、 异丙醇 为溶剂， 反应 25.0h， 以43%的产率得到
  参考文献：
  名称：

  末端炔烃与未活化烯烃的钯催化脱氢偶联反应

  摘要：

  具有大取代基的末端炔烃在钯催化下与未活化的末端烯烃脱氢偶联。末端sp碳与烯烃的内部sp 2碳形成区域键，从而选择性地产生具有宽泛的官能团耐受性的支链共轭1,3-烯炔。

  DOI：

  10.1002/jccs.201700268

文献信息

• Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands
  申请人：Frank Robert

  公开号：US20120115903A1

  公开（公告）日：2012-05-10

  Substituted heteroaromatic carboxamide and urea compounds corresponding to formula (i) processes for the preparation thereof, pharmaceutical compositions containing these compounds and also a method of using these compounds in pharmaceutical compositions for treating or inhibiting pain and other conditions mediated at least in part via the vanilloid receptor 1.

  将与式（i）对应的取代杂芳基羧酰胺和脲化合物翻译成中文，以及其制备方法、含有这些化合物的药物组合物，以及在药物组合物中使用这些化合物治疗或抑制至少部分通过辣椒素受体1介导的疼痛和其他症状的方法。
• [EN] SUBSTITUTED HETEROAROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS<br/>[FR] CARBOXAMIDE HÉTÉROAROMATIQUE SUBSTITUÉ ET DÉRIVÉS DE L'URÉE EN TANT QUE LIGANDS DU RÉCEPTEUR VANILLOÏDE
  申请人：GRUENENTHAL GMBH

  公开号：WO2012062462A1

  公开（公告）日：2012-05-18

  The invention relates to substituted heteroaromatic carboxamide and urea derivatives of formula (I), to processes for the preparation thereof, to pharmaceutical compositions containing these compounds and also to the use of these compounds for preparing pharmaceutical compositions.

  这项发明涉及公式（I）的取代杂环羧酰胺和脲衍生物，涉及其制备方法，含有这些化合物的药物组合物，以及利用这些化合物制备药物组合物。
• SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY
  申请人：Merla Beatrix

  公开号：US20090111842A1

  公开（公告）日：2009-04-30

  Spirocyclic cyclohexane compounds corresponding to formula I a process for manufacturing such compounds, pharmaceutical compositions that contain such compounds, and the use of such spirocyclic cyclohexane compounds for the production of pharmaceuticals, and particularly for the treatment of pain.

  与公式I相对应的螺环式环己烷化合物，制造这类化合物的方法，含有这类化合物的药物组合物，以及利用这类螺环式环己烷化合物生产药物，特别是用于治疗疼痛的用途。
• SULFAMIDES AS TRPM8 MODULATORS
  申请人：Matthews Jay M.

  公开号：US20100160337A1

  公开（公告）日：2010-06-24

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula I as follows: wherein Y, R 1 , R 2 , R 3 , R 4 , R A , and R B are defined herein.

  揭示了用于治疗各种疾病、综合症、症状和障碍的化合物、组合物和方法，包括疼痛。这些化合物由以下的化学式I表示： 其中Y，R1，R2，R3，R4，RA和RB在此处被定义。
• PERHYDROQUINOXALINE DERIVATIVES
  申请人：Wünsch Bernhard

  公开号：US20100311761A1

  公开（公告）日：2010-12-09

  The present invention relates to perhydroquinoxaline derivatives, processes for their preparation, their use for the preparation of a medicament and medicaments containing perhydroquinoxaline derivatives.

  本发明涉及过氢喹喔啉衍生物，其制备方法，其用于制备药物以及含有过氢喹喔啉衍生物的药物。

表征谱图