4-(2-甲氧基苯氧基)苯胺 | 13066-01-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(2-甲氧基苯氧基)苯胺
• 英文名称: 4-(2-methoxyphenoxy)-aniline
• 英文别名: 4-(2-Methoxyphenoxy)aniline
• CAS: 13066-01-8
• 化学式: C₁₃H₁₃NO₂
• mdl: MFCD02663341
• 分子量: 215.252
• InChiKey: XFOFRBMGVDBINH-UHFFFAOYSA-N

物化性质

• 熔点：
  92.2-94.4

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922299090
• WGK Germany：
  3
• 危险性防范说明：
  P280
• 危险性描述：
  H317
• 储存条件：
  室温

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 4-(2-Methoxyphenoxy)Aniline
: CBR01173
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin sensitisation (Category 1), H317
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R43
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
May cause an allergic skin reaction.
Precautionary statement(s)
Wear protective gloves.
Supplemental Hazard none
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 215,25 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
4-(2-Methoxyphenoxy)Aniline
Skin Sens. 1; H317 <= 100 %
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
4-(2-Methoxyphenoxy)Aniline
Xi, R43 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Flush eyes with water as a precaution.
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting 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 vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
Face shield and safety glasses 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
Complete suit protecting against chemicals, 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).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour No data available
c) Odour Threshold No data available
d) pH No data available
e) Melting point/freezing No data available
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
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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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 sensitisation
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
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with
an afterburner and scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company.
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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-(2-甲氧基苯氧基)苯胺 在 硫酸 、 溴 、 硝酸 、 溶剂黄146 作用下， 生成 4-bromo-1-methoxy-2-(3-nitro-phenoxy)-benzene
  参考文献：
  名称：

  151.取代为2-甲氧基-硝基二苯醚

  摘要：

  DOI：

  10.1039/jr9340000705
• 作为产物：
  描述：

  1-甲氧基-2-(4-硝基苯氧基)苯 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 4-(2-甲氧基苯氧基)苯胺
  参考文献：
  名称：

  作为新型人二氢乳清酸脱氢酶抑制剂的 4-噻唑烷酮衍生物的结构优化和构效关系

  摘要：

  人类二氢乳清酸脱氢酶（hDHODH）是开发免疫抑制药物的有吸引力的靶标之一，也是抗癌药物和抗白血病药物的潜在靶标。开发有前景的 hDHODH 抑制剂的需求量很大。基于我们之前报道的4-噻唑烷酮衍生物的独特结合模式，通过分子对接方法，设计并合成了三个新系列的4-噻唑烷酮衍生物作为hDHODH抑制剂。研究了初步的构效关系。联苯系列化合物9和酰胺系列化合物37的IC50值分别为1.32 μM和1.45 μM。该研究将为hDHODH抑制剂新结构的研究提供有价值的参考。

  DOI：

  10.3390/molecules24152780

文献信息

• TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy
  作者：Vanesa Nozal、Loreto Martínez-González、Marta Gomez-Almeria、Claudia Gonzalo-Consuegra、Paula Santana、Apirat Chaikuad、Eva Pérez-Cuevas、Stefan Knapp、Daniel Lietha、David Ramírez、Sabrina Petralla、Barbara Monti、Carmen Gil、Angeles Martín-Requero、Valle Palomo、Eva de Lago、Ana Martinez

  DOI：10.1021/acs.jmedchem.1c01942

  日期：2022.1.27

  phosphorylates TDP-43 in cellular and animal models; thus, TTBK1 inhibitors emerge as a promising therapeutic strategy for ALS. The design, synthesis, biological evaluation, kinase–ligand complex structure determination, and molecular modeling studies confirmed novel pyrrolopyrimidine derivatives as valuable inhibitors for further development. Moreover, compound 29 revealed good brain penetration in vivo and was

  肌萎缩侧索硬化症（ALS）是一种致命的神经退行性疾病，没有任何有效的治疗方法。蛋白 TDP-43 是散发性和熟悉的患者 ALS 的病理标志。TDP-43 的翻译后修饰促进其在细胞质中的聚集。Tau-微管蛋白激酶 (TTBK1) 在细胞和动物模型中磷酸化 TDP-43；因此，TTBK1 抑制剂成为一种有前途的 ALS 治疗策略。设计、合成、生物学评价、激酶-配体复杂结构测定和分子建模研究证实了新型吡咯并嘧啶衍生物作为进一步开发的有价值的抑制剂。此外，化合物29在体内显示出良好的脑渗透性并且能够降低 TDP-43 磷酸化，不仅在细胞培养中，而且在转基因 TDP-43 小鼠的脊髓中。在体内也证实了向 M2 抗炎小胶质细胞的转变。这两项活动都导致了小鼠运动神经元的保存，建议吡咯并嘧啶29作为未来 ALS 治疗的有价值的先导化合物。
• [EN] AGRICULTURAL CHEMICALS<br/>[FR] PRODUITS CHIMIQUES AGRICOLES
  申请人：GLOBACHEM NV

  公开号：WO2019141980A1

  公开（公告）日：2019-07-25

  The present invention relates to picolinic acid derivatives that are useful in treating fungal diseases ofplants.

  本发明涉及烟酸衍生物，用于治疗植物的真菌性病害。
• Pyrrolopyridazine MEK inhibitors
  作者：Zhong Chen、Soong-Hoon Kim、Stephanie A. Barbosa、Tram Huynh、David R. Tortolani、Kenneth J. Leavitt、Donna D. Wei、Veeraswamy Manne、Carolyn S. Ricca、Johnni Gullo-Brown、Michael A. Poss、Wayne Vaccaro、Mark E. Salvati

  DOI：10.1016/j.bmcl.2005.10.052

  日期：2006.2

  The synthesis and SAR of a series of pyrrolopyridazine MEK inhibitors are reported. Optimal activity was achieved by incorporation of a 4-phenoxyaniline substituent at C4 and an acylated amine at C6.

  报道了一系列吡咯并哒嗪MEK抑制剂的合成和SAR。最佳活性是通过在C4处引入4-苯氧基苯胺取代基和在C6处引入酰化胺来实现的。
• Inhibitors for the bacterial ectonucleotidase Lp1NTPDase from Legionella pneumophila
  作者：Amelie Fiene、Younis Baqi、Enas M. Malik、Patrice Newton、Wenjin Li、Sang-Yong Lee、Elizabeth L. Hartland、Christa E. Müller

  DOI：10.1016/j.bmc.2016.07.027

  日期：2016.9

  catalyzing the hydrolysis of ATP to ADP and ADP to AMP. Its activity is believed to contribute to the virulence of Legionella pneumophila. Therefore Lp1NTPDase inhibitors are considered as novel antibacterial drugs. However, only weakly potent compounds are available so far. In the present study, a capillary electrophoresis (CE)-based enzyme assay for monitoring the Lp1NTPDase activity was established. The

  嗜肺军团菌是军团菌属的一种好氧性革兰氏阴性细菌，它是军团菌病的主要病原体。最近，鉴定了一种来自嗜肺乳杆菌的核苷三磷酸二磷酸水解酶（NTPDase），并将其称为Lp1NTPDase。它被发现是哺乳动物NTPDase的结构和功能同源物，可催化ATP水解为ADP和ADP水解为AMP。据信其活性有助于肺炎军团菌的毒性。因此，Lp1NTPDase抑制剂被认为是新型抗菌药物。但是，到目前为止，只有弱效化合物可用。在本研究中，建立了用于监测Lp1NTPDase活性的基于毛细管电泳（CE）的酶法。酶促反应在试管中进行，然后通过CE分离底物和产物，随后通过UV分析进行定量。在对该酶进行动力学表征后，研究了一系列与蒽醌染料活性蓝2（一种非选择性ecto-NTPDase抑制剂）结构相关的1-氨基-4-芳基（烷基）基氨基-2-磺基蒽醌衍生物的抑制活性。使用基于CE的酶测定法检测Lp1NTPDase的表达。在1-氨
• Pyrrolopyridazine compounds and methods of use thereof for the treatment of proliferative disorders
  申请人：——

  公开号：US20040209886A1

  公开（公告）日：2004-10-21

  Disclosed are pyrrolopyridazine compounds, methods of preparing such compounds, and their use for the treatment of proliferative, inflammatory, and other disorders.

  揭示了吡咯吡啶并嗪化合物，制备这类化合物的方法，以及它们用于治疗增殖性、炎症性和其他疾病的用途。