9-氯代菲 | 947-72-8

• 物质功能分类: 化学试剂 - 有机试剂 - 三环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 9-氯代菲
• 中文别名: 9-氯菲
• 英文名称: 9-chlorophenanthrene
• CAS: 947-72-8
• 化学式: C₁₄H₉Cl
• mdl: MFCD00037142
• 分子量: 212.678
• InChiKey: CJWHZQNUDAJJSB-UHFFFAOYSA-N

物化性质

• 熔点：
  46-50 °C
• 沸点：
  275.35°C (rough estimate)
• 密度：
  1.1779 (rough estimate)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• 保留指数：
  2012.7
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2903999090

SDS

Name:	9-Chlorophenanthrene 98% Material Safety Data Sheet
Synonym:	None
CAS:	947-72-8

Section 1 - Chemical Product MSDS Name:9-Chlorophenanthrene 98% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
947-72-8	9-Chlorophenanthrene, 98%	98%	213-430-0

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 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.

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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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Do not induce vomiting. 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.
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 if cough or other symptoms appear.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas.
Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Good general ventilation should be sufficient to control airborne levels.
Exposure Limits CAS# 947-72-8: 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: Solid
Color: slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 47 - 49 deg 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: C14H9Cl
Molecular Weight: 212.68

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 947-72-8: SF7325050 LD50/LC50:
Not available.
Carcinogenicity:
9-Chlorophenanthrene, 98% - 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.
WGK (Water Danger/Protection)
CAS# 947-72-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 947-72-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 947-72-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  9-氯代菲 在 四氯化碳 、 氯 作用下， 生成 9,10-dichlorophenanthrene
  参考文献：
  名称：

  Sandqvist; Hagelin, Chemische Berichte, 1918, vol. 51, p. 1520

  摘要：

  DOI：
• 作为产物：
  描述：

  菲 在 aluminum oxide 、 air 、 三氯化铁 作用下， 反应 20.0h， 以26%的产率得到9-氯代菲
  参考文献：
  名称：

  表面光化学：在氧化铝上用氯化铁对芳烃进行光氯化

  摘要：

  在氯化铁的存在下辐照吸附在氧化铝上的多种芳香烃会导致单氯化。

  DOI：

  10.1016/s0040-4039(01)92444-x

文献信息

• Photoreduction of Pt(IV) Halo-Hydroxo Complexes: Possible Hypohalous Acid Elimination
  作者：Lasantha A. Wickramasinghe、Paul R. Sharp

  DOI：10.1021/ic402358s

  日期：2014.2.3

  detected in photolyzed benzene solutions. Photolysis of 3 or 6 in the presence of 2,3-dimethyl-2-butene (TME) yields the chlorohydrin (2-chloro-2,3-dimethyl-3-butanol), 3-chloro-2,3-dimethyl-1-butene, and acetone, all expected products from HOCl trapping, but additional oxidation products are also observed. Photolysis of mixed chloro-bromo complex 7 with TME yields the bromohydrin (2-bromo-2,3-dimethyl-3-butanol)

  将浓缩的过氧化氢加至反式Pt（PEt 3）2 Cl（R）[ 1（R = 9-菲基），2（R = 4-三氟甲基苯基）]可以生成反式Pt（PEt 3）2（ Cl）（OOH）（OH）（R）[ 5（R = 9-菲基），4（R = 4-三氟甲基苯基）]，其中氢过氧配体反式为R。络合物5不稳定并与溶剂CH 2反应CL 2，得到的反式，顺式-Pt（PET 3）2（Cl）的2（OH）（9-菲基）（3）。用HCl处理4可获得类似的反式-顺式-Pt（PEt 3）2（Cl）2（OH）（4-三氟甲基苯基）（6）和HBr产生反式-Pt（PEt 3）2（Br）（Cl）（ OH）（4-三氟甲基苯基）（7），其中Br和4-三氟甲基苯基配体是反式的。3或6在313或380 nm处发生光解会导致反式Pt（PEt 3）2 Cl（R）（1或2）。未检测到预期的副产物HOCl，但显示出真实的HOCl溶液在反应条件下会分解。在光解苯溶液中检测到氯苯和其他可将PPh
• Photoreduction of Pt(IV) Chloro Complexes: Substrate Chlorination by a Triplet Excited State
  作者：Tharushi A. Perera、Mehdi Masjedi、Paul R. Sharp

  DOI：10.1021/ic5009413

  日期：2014.7.21

  Except for 2 (R = Ph, 4-trifluoromethylphenyl), all of the Pt(IV) complexes are photosensitive to UV light and undergo net halogen reductive elimination to give Pt(II) products, trans-Pt(PEt3)2(R)(X) (X = Cl, Br). Chlorine trapping experiments with alkenes indicate a reductive-elimination mechanism that does not involve molecular chlorine and is sensitive to steric effects at the Pt center. DFT calculations

  通过氯化三氯甲烷制备反式-Pt（PEt 3）2（Cl）3（R）2（R = Cl，Ph，9-菲基，2-三氟甲基苯基，4-三氟甲基苯基，3- perenylenyl ）的Pt（IV）配合物。 Pt（II）与-Cl 2（g）或PhICl 2的反式-Pt（PEt 3）2（R）（Cl）1络合物。混合的溴-氯配合物反式，反式-Pt（PEt 3）2（Cl）2（Br）（R）（R = 9-菲基，4-三氟甲基苯基），反式，顺式-Pt（PEt 3）2（Cl）2（Br）（4-三氟甲基苯基），反式，反式-Pt（PEt 3）2（Br）2（Cl）（R）（R = 9-菲基）和反式，顺式-Pt（PEt 3）2（ BR）2（Cl）的（4-三氟甲基苯基）通过卤化物交换或通过氧化加成的Br获得2至1或Cl 2至反式-Pt（PET 3）2（R）（BR）。除2（R = Ph，4-三氟甲基苯基）外，所有Pt（IV）配合物均对紫外光敏感
• Microwave-assisted synthesis of substituted phenanthrenes, anthracenes, acenaphthenes, and fluorenes
  作者：Shiuh-Chuan Chan、Jing-Pei Jang、Yie-Jia Cherng

  DOI：10.1016/j.tet.2009.01.029

  日期：2009.3

  Rapid coupling reactions of polycyclic aromatic halides with various N-, S-, and Se-nucleophiles under focused microwave irradiation are described. Using this method, the desired products are obtained with good to excellent yields in a short reaction time.

  描述了在聚焦微波辐射下多环芳族卤化物与各种N-，S-和Se-亲核试剂的快速偶联反应。使用这种方法，可以在短的反应时间内以良好或极好的收率获得所需的产物。
• PROCESS FOR PRODUCING AROMATIC AMINES
  申请人：TAKASAGO INTERNATIONAL CORPORATION

  公开号：US20020035295A1

  公开（公告）日：2002-03-21

  The present invention provides an activator in arylamination using a palladium compound as a catalyst, which is superior to conventional phosphines in stability and performance. With the phosphine sulfide as an activator, an arylamination reaction achieves improved selectivity to produce a desired aromatic amine in an obviously increased yield as compared with a reaction using the corresponding phosphine compound. Moreover, the phosphine sulfide of the invention is impervious to oxidation and exists stably in air and therefore sufficiently withstands use on an industrial scale.

  本发明提供了一种在芳基化反应中使用钯化合物作为催化剂的活化剂，其在稳定性和性能方面优于传统的膦化合物。通过使用膦硫化物作为活化剂，芳基化反应实现了改善的选择性，以明显增加的产量生产所需的芳香胺，与使用相应的膦化合物的反应相比。此外，本发明的膦硫化物不受氧化影响，在空气中存在稳定，因此足以在工业规模上使用。
• Base-Mediated Intermolecular sp² C−H Bond Arylation via Benzyne Intermediates
  作者：Thanh Truong、Olafs Daugulis

  DOI：10.1021/ja200184b

  日期：2011.3.30

  A transition-metal-free method for arylation of heterocycle and arene carbon-hydrogen bonds by aryl chlorides and fluorides has been developed. The reactions proceed via aryne intermediates and are highly regioselective with respect to the C-H bond coupling component.

  开发了一种无过渡金属的方法，用于通过芳基氯化物和氟化物对杂环和芳烃碳氢键进行芳基化。反应通过芳炔中间体进行，并且对于 CH 键偶联组分具有高度区域选择性。

表征谱图