1-氨基-9-芴酮 | 6344-62-3

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: 1-氨基-9-芴酮
• 中文别名: 1-氨基-9勿酮
• 英文名称: 1-amino-9H-fluoren-9-one
• 英文别名: 1-Amino-9-fluorenone；1-aminofluorenone；aminofluorenone；1-aminofluoren-9-one
• CAS: 6344-62-3
• 化学式: C₁₃H₉NO
• mdl: MFCD00001158
• 分子量: 195.221
• InChiKey: KSEPMOMKAQKOSM-UHFFFAOYSA-N

物化性质

• 熔点：
  118-120 °C (lit.)
• 沸点：
  406.2±24.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  避免使用强氧化剂

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 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：
  43.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2922399090
• WGK Germany：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Amino-9-fluorenone
CAS-No. : 6344-62-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S37/39 Wear suitable gloves and eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C13H9NO
Molecular Weight : 195,22 g/mol
Component Concentration
1-Aminofluoren-9-one
CAS-No. 6344-62-3 -
EC-No. 228-748-5

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx)
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Impervious clothing., The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: gold
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 118 - 120 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
acids, Acid chlorides, Acid anhydrides, Chloroformates, Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine Pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  1-氨基-9-芴酮 在 氘 作用下， 以 四氢呋喃 为溶剂， 55.0 ℃ 、101.33 kPa 条件下， 反应 3.0h， 以99%的产率得到
  参考文献：
  名称：

  NHC 稳定的铱纳米颗粒作为苯胺氢同位素交换反应的催化剂。

  摘要：

  报道了 N-杂环卡宾稳定铱纳米颗粒的制备及其在氢同位素交换反应中的应用。这些空气稳定且易于处理的铱纳米颗粒显示出独特的催化活性，允许使用 D2 或 T2 作为同位素源选择性和高效地将氢同位素掺入苯胺上。这种转化的有用性已经通过各种复杂药物的氘和氚标记得到证明。

  DOI：

  10.1002/anie.201914369
• 作为产物：
  描述：

  9-芴酮-1-碳酰氯 在 sodium azide 、 丙酮 作用下， 生成 1-氨基-9-芴酮
  参考文献：
  名称：

  238. 4-氮杂-和2：4-二氮杂荧蒽的某些衍生物的合成

  摘要：

  DOI：

  10.1039/jr9500001160

文献信息

• Reactivity of 2,1-Benzisoxazole in Palladium-Catalyzed Direct Arylation with Aryl Bromides
  作者：Mohand Aidene、Fatma Belkessam、Jean-François Soulé、Henri Doucet

  DOI：10.1002/cctc.201600047

  日期：2016.4.20

  The Pd‐catalyzed direct arylation of 2,1‐benzisoxazole with aryl bromides to access 3‐arylbenzoisoxazoles proceeds in moderate‐to‐high yields with 1 mol % Pd(OAc)2 or 2 mol % PdCl(C3H5)(dppb) (dppb=1,4‐bis(diphenylphosphino)butane) as the catalysts and KOAc as an inexpensive base. A wide variety of (hetero)aryl bromides have been employed successfully. Moreover, arylations followed by benzisoxazole

  Pd催化2,1-苯并恶唑与芳基溴的直接芳基化反应以生成3-芳基苯并异恶唑，其产率为中至高，产率为1 mol％Pd（OAc）2或2 mol％PdCl（C 3 H 5）（dppb ）（dppb = 1,4-双（二苯基膦基）丁烷）作为催化剂，KOAc作为便宜的碱。已经成功地使用了各种各样的（杂）芳基溴化物。此外，芳基化反应后再开苯并异恶唑开环，仅需两个步骤即可制备2-氨基二苯甲酮。
• Synthesis and Antibacterial Activity of Novel Fused 1,3-Thiazoles and 1,3-Thiazines Incorporating a 2,4-Dihydroxyphenyl Residue
  作者：Joanna Matysiak、Renata Los、Anna Malm、Monika M. Karpińska、Urszula Głaszcz、Barbara Rajtar、Małgorzata Polz-Dacewicz、Marta Trojanowska-Wesołowska、Andrzej Niewiadomy

  DOI：10.1002/ardp.201100251

  日期：2012.4

  effective than the reference drug. 4‐(6‐Chloro‐4H‐3,1‐benzothiazin‐2‐yl)‐6‐methylbenzene‐1,3‐diol (5b) due to its very good activity (MIC from 1.56 to 3.13 µg/mL) and low cytotoxicity (IC50 > 50 µg/mL) may be regarded as a promising precursor for the development of novel antibacterial agents.

  为了寻找一类新的抗菌剂，一系列苯并噻唑、1,3-噻唑并[5,4-b]吡啶、4H-3,1-苯并噻嗪、萘并[2,3-d][1、 3]制备了含有 2,4-二羟基苯基部分的噻唑-4,9-二酮和其他相关化合物。它们是通过芳基修饰的亚磺酰基[双(2,4-二羟基苯基甲硫酮)]与适当的商业化学试剂在内环化过程中反应获得的。通过两倍系列微量稀释肉汤方法评估化合物对八种参考细菌菌株的 MIC 值。它们对革兰氏阳性菌株表现出抑制作用，与​​革兰氏阴性菌株相反。一些化合物比参考药物更有效。4-(6-Chloro-4H-3,1-benzothiazin-2-yl)-6-methylbenzo-1,
• EPR, ENDOR and TRIPLE resonance characterization of three paramagnetic reduction stages of 5-(9′-fluorenylidene)-5H-dibenzo[a,d] cycloheptene. Radical anions, radical trianions and radical penta-anions
  作者：M. Celina R. L. R. Lazana、M. Luisa T. M. B. Franco

  DOI：10.1039/ft9959103821

  日期：——

  5-(9′-Fluorenylidene)-5H-dibenzo[a,d]cycloheptene (1) has been chemically reduced with alkali metals (Li, Na, K, Cs) to the respective radical anions, radical trianions and radical penta-anions, which have been studied by EPR, ENDOR and TRIPLE resonance spectroscopies. The absolute assignment of the proton hyperfine splitting (hfs) to the 10 (11) positions and to positions in the fluorenyl moiety was

  5-（9'-氟亚烯基）-5 H-二苯并[ a，d ]环庚烯（1）已被碱金属（Li，Na，K，Cs）化学还原为相应的自由基阴离子，自由基三阴离子和自由基五-阴离子，已通过EPR，ENDOR和TRIPLE共振光谱学进行了研究。通过合成和研究选择性氘代衍生物2-6的还原，将质子超细分裂（hfs）的绝对分配分配给10（11）位置和芴基部分的位置是可行的。将实验性hfs与通过INDO方法计算的实验性hfs进行比较，可提供有关还原引起的结构变化的重要信息。
• Bichromophoric Perylene Derivatives: Energy Transfer from Non-Fluorescent Chromophores
  作者：Heinz Langhals、Sigrid Saulich

  DOI：10.1002/1521-3765(20021216)8:24<5630::aid-chem5630>3.0.co;2-z

  日期：2002.12.16

  The energy of excitation at non-fluorescent chromophores such as fluorenone and anthraquinone has been trapped by a fast energy transfer to the highly fluorescent perylene bisimides. To this end, anthraquinone, fluorenone and anthracene derivatives have been linked to the perylene bisimides by non-conjugating spacers and fluorescence quantum yield of such assemblies have been determined as a function

  在非荧光发色团（例如芴酮和蒽醌）处的激发能量已通过快速转移到高荧光per双酰亚胺中而被捕获。为此，蒽醌，芴酮和蒽衍生物已通过非共轭间隔基与per联双酰亚胺连接，并且已确定了此类组件的荧光量子产率与激发波长的关系。在这种组件中的能量转移受两个生色团的取向的强烈影响。这对于荧光开关的构造是令人感兴趣的。
• Parallel synthesis of a library of bidentate protein tyrosine phosphatase inhibitors based on the α-ketoacid motif
  作者：Yen Ting Chen、Christopher T Seto

  DOI：10.1016/j.bmc.2004.03.058

  日期：2004.6

  synthesis, using parallel solution-phase methods, of a library of 104 potential inhibitors of PTPases. The library members are based on the bis(aryl alpha-ketocarboxylic acid) motif that incorporates a carboxylic acid on the central benzene linker. This carboxylic acid was coupled with a variety of different aromatic amines through an amide linkage. The aromatic component of the resulting amides is designed

  蛋白质酪氨酸磷酸酶（PTPases）通过控制细胞中酪氨酸磷酸化水平来调节细胞内信号转导途径。这些酶在包括II型糖尿病和鼠疫耶尔森菌（鼠疫是鼠疫的致病菌）感染在内的多种疾病中起着重要作用。该报告描述了使用并行溶液相方法合成104种PTPase潜在抑制剂的文库。库成员基于双（芳基α-酮羧酸）基序，该基序在中央苯接头上结合了羧酸。该羧酸通过酰胺键与多种不同的芳族胺偶联。设计所得酰胺的芳族成分以使其与围绕PTPase活性位点的残基接触。针对耶尔森氏菌PTPase和PTP1B筛选了该文库。根据筛选结果，选择了该库的四个成员进行进一步研究。对这四种化合物针对耶尔森氏菌PTPase，PTP1B，TCPTP，CD45和LAR进行了评估。化合物14对PTP1B的IC（50）值为590nM，是可逆的竞争性抑制剂。这种亲和力表示效力比化合物2（文库所基于的母体结构）高120倍以上。第二种抑制剂化合物12对耶尔森

表征谱图