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84-11-7

(菲醌,9,10-Phenanthrenequinone)
菲醌
9,10-Phenanthrenequinone
84-11-7
C14H8O2
208.21212387085
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:菲醌结构式
菲醌MOL
6763

名称和标识符

MDL MFCD00001163
InChIKey YYVYAPXYZVYDHN-UHFFFAOYSA-N
Inchi 1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
SMILES O=C1C2C(=CC=CC=2)C2C(=CC=CC=2)C1=O
BRN 0608838

别名信息

- 中文别名 -

  • 菲醌
  • 9,10-菲醌
  • 9,10-菲蒽
  • 9,10-Phenanthrenequinone 9,10-菲醌
  • 9,10-菲二酮
  • 菲醌 PHENANTHRENEQUINONE

- 英文别名 -

  • Phenanthrene-9,10-dione
  • 9,10-phenanthrenedione
  • 9,10-Phenanthraquinone
  • 9,10-Phenanthrenequinone
  • Phenanthrenechinone
  • Phenanthrenequinone
  • PHENANTHRENEQUINONE, SYNTHESIS GRADE
  • Phenanthraquinone
  • 9,10-Phenanthroquinone
  • SMR000150826
  • MLS000881132
  • MLS000571180
  • YYVYAPXYZVYDHN-UHFFFAOYSA-N
  • 42L7BZ8H74
  • 9,10-Phenanthrenedione Phenanthrenequinone
  • BP-13416
  • SB67051
  • STK793149
  • cid_6763
  • Z56943754
  • W-104124
  • EINECS 201-515-5
  • REGID_for_CID_6763
  • AF-936/31262009
  • BDBM22857
  • 9,10-Phenanthrenequinone, >=99%
  • Phenanthrene,10-dihydro-9,10-dioxo-
  • Phenanthrene, 9,10-dihydro-9,10-dioxo-
  • Phenanthrene chinone
  • Opera_ID_1159
  • DTXSID3058901
  • 84-11-7
  • D0Q2YJ
  • BRN 0608838
  • Phenanthroquinone
  • NSC 10446
  • WLN: L B666 HVVJ
  • EN300-17486
  • P0080
  • P1136
  • NCGC00246089-01
  • NSC10446
  • SR-01000512656
  • UNII-42L7BZ8H74
  • phenanthrenchinon
  • LS-102685
  • NSC7389
  • CHEMBL51931
  • CS-W015223
  • 9,10-dihydrophenanthrene-9,10-dione
  • 9,10-PHENANTHRENEDIONE
  • phenanthrene-9,10-quinone
  • A840718
  • FT-0621602
  • 9,10-phenanthrenquinon
  • CX1139
  • SCHEMBL43050
  • AS-14257
  • 3-Pyrrolidin-2-yl-propionicacid
  • KSC-1-127
  • SR-01000512656-4
  • AKOS000120609
  • 9,10-phenanthrquinone
  • 9,10-Phenanthrenequinone, 95%
  • SR-01000512656-1
  • Phenanthrene-9,10 dione
  • HMS2231F24
  • 9-10 Phenanthrene quinone
  • 1,2-Dione-Based Compound, 14
  • NSC-7389
  • MFCD00001163
  • CHEBI:37454
  • 9,10-Phenanthrenequinone, Vetec(TM) reagent grade, 94%
  • 4-07-00-02565 (Beilstein Handbook Reference)
  • HSDB 4489
  • PHENANTHRENEQUINONE [MI]
  • Q-201551
  • CCRIS 7615
  • C03243
  • AI3-23739
  • NSC-10446
  • Q25103737
  • AMY37107
  • KUC103886N
  • 9,10-Phenanthrenedione
  • Phenanthrenequinone (8CI)
  • NSC 7389

物化性质

实验特性

LogP 2.73260
PSA 34.14000
Merck 7213
折射率 1.5681 (estimate)
水溶性 Insoluble in water.
沸点 360 ºC
熔点 209-212 °C (lit.)
蒸气压 0.0±0.8 mmHg at 25°C
闪点 华氏:473 °F
摄氏:245 °C
溶解度 7.5mg/l
颜色与性状 橙黄色针状结晶。
稳定性 Stable. Incompatible with strong oxidizing agents.
溶解性 不溶于水,微溶于乙醇、苯、醋酸乙酯,溶于乙醚和热醋酸
密度 1.405

计算特性

精确分子量 208.05200
氢键供体数量 0
氢键受体数量 2
可旋转化学键数量 0
同位素质量 208.052
重原子数量 16
复杂度 289
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.5
表面电荷 0
拓扑分子极性表面积 34.1

国际标准相关数据

EINECS 7615

海关数据

海关编码 29146990
海关数据

中国海关编码:

2914399090

概述:

2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

合成路线

合成路线:1 步
反应条件:
参考文献:
Dichlororuthenium(IV) complex of meso-tetrakis(2,6-dichlorophenyl)porphyrin: Active and robust catalyst for highly selective oxidation of arenes, unsaturated steroids, and electron-deficient alkenes by using 2,6-dichloropyridine N-oxide
Zhang, Jun-Long; Che, Chi-Ming, Chemistry - A European Journal, 2005, 11(13), 3899-3914
合成路线:1 步
反应条件:
参考文献:
Liquid-Phase and Solventless Oxidation of Cyclohexane, Benzene, and Other Hydrocarbons by Cerium(IV) Catalyzed by Iridium(III) in Acidic Medium
Tandon, Praveen K.; Srivastava, Manish; Singh, Santosh B.; Srivastava, Nidhi, Synthetic Communications, 2008, 38(18), 3183-3192
合成路线:1 步
反应条件:
参考文献:
1-Methyl-1,4-cyclohexadiene as a Traceless Reducing Agent for the Synthesis of Catechols and Hydroquinones
Baschieri, Andrea ; Amorati, Riccardo ; Valgimigli, Luca ; Sambri, Letizia, Journal of Organic Chemistry, 2019, 84(21), 13655-13664
合成路线:1 步
反应条件:
参考文献:
The formation of orthoquinones in the dimethyldioxirane oxidation of phenols
Crandall, Jack K.; Zucco, Martine; Kirsch, R. Scott; Coppert, David M., Tetrahedron Letters, 1991, 32(40), 5441-4
合成路线:1 步
反应条件:
参考文献:
Tetrabutylammonium fluorochromate(VI) (TBAFC). A mild and efficient reagent for oxidation of organic substrates
Ghammami, Shahriare; Sajadi, Seyed Abolfazl Seyed, Journal of the Serbian Chemical Society, 2005, 70(11), 1243-1248
合成路线:1 步
反应条件:
参考文献:
Stanna-Brook Rearrangement of Carboxylic Acid Derivatives. Synthetic Utility and Mechanistic Studies
Paleo, M. Rita; Calaza, M. Isabel; Grana, Paula; Sardina, F. Javier, Organic Letters, 2004, 6(6), 1061-1063
合成路线:1 步
反应条件:
参考文献:
Thiazol-2-ylidene catalysis in intramolecular crossed aldehyde-ketone benzoin reactions
Enders, Dieter; Niemeier, Oliver, Synlett, 2004, (12), 2111-2114
合成路线:1 步
反应条件:
参考文献:
The two new tripropylammonium halochromates, (C3H7)3NH[CrO3X], (X = F, Cl), reagents for oxidation of alcohols on alumina
Ghammamy, Shahriar; Sharifnezhad, Zahra; Aghbolagh, Zahra Shokri; Sahebalzamani, Hajar, Advances in Applied Science Research, 2010, 1(2), 119-123
合成路线:1 步
反应条件:
参考文献:
Cetyltrimethylammonium bromochromate. A new and efficient oxidant for organic substrates
Ghammamy, Shahriar; Eimanieh, Hossein; Mohammady, Mohammad Kazem, Synthetic Communications, 2007, 37(4), 599-605
合成路线:1 步
反应条件:
参考文献:
Tetramethylammonium fluorochromate(VI): a new and efficient oxidant for organic substrates
Mahjoub, Ali Reza; Ghammami, Shahriare; Kassaee, Mohammad Zaman, Tetrahedron Letters, 2003, 44(24), 4555-4557
合成路线:1 步
反应条件:
参考文献:
Heterogeneous oxidation of organic substrates by using two trimethylammonium halochromates on alumina, (CH3)3NH[CrO3X], (X=F, Cl)
Ghammamy, Shahriare; Moghimi, Ali; Nezhad, Zahra Sharif; Aghbolagh, Zahra Shokri; Behbahani, Golam Rezaei, Chemica Sinica, 2010, 1(1), 106-110
合成路线:1 步
反应条件:
参考文献:
IBS-catalyzed regioselective oxidation of phenols to 1,2-quinones with Oxone
Uyanik, Muhammet; Mutsuga, Tatsuya; Ishihara, Kazuaki, Molecules, 2012, 17, 8604-8616

相关文献

专业数据库参考

PubChemId 6763

参考资料

Reaxys RN 608838
Beilstein 608838

菲醌 MSDS

基础信息

Name: Phenanthrenequinone 98% (uv-vis) Material Safety Data Sheet
Synonym:
CAS: 84-11-7
Section 1 - Chemical Product ? MSDS Name:Phenanthrenequinone 98% (uv-vis) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
84-11-7 Phenanthrenequinone, tech. 80% 201-515-5
Hazard Symbols: XI
Risk Phrases: 36/37/38

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:
May cause eye 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:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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.
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:

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 water spray, dry chemical, carbon dioxide, or appropriate foam.

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, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

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.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 84-11-7: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Granules
Color: orange-red
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 360 deg C
Freezing/Melting Point: 209.00 - 211.00 C
Autoignition Temperature: 630 deg C ( 1,166.00 deg F)
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C14H8O2
Molecular Weight: 208.22

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 84-11-7: SF7875000 LD50/LC50:
Not available.
Carcinogenicity:
Phenanthrenequinone, tech. - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

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.

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 22 Do not breathe dust.
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# 84-11-7: No information available.
Canada
CAS# 84-11-7 is listed on Canada's NDSL List.
CAS# 84-11-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 84-11-7 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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