1-(4-甲基苯氧基)-2-硝基苯 | 3402-70-8

• 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: 1-(4-甲基苯氧基)-2-硝基苯
• 英文名称: 1-nitro-2-(p-tolyloxy)benzene
• 英文别名: 1-(4-methylphenoxy)-2-nitrobenzene
• CAS: 3402-70-8
• 化学式: C₁₃H₁₁NO₃
• mdl: MFCD00156340
• 分子量: 229.235
• InChiKey: OSDQXPIRKIRPDH-UHFFFAOYSA-N

物化性质

• 熔点：
  48-48.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  230-232 °C(Press: 17-18 Torr)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2-NITROPHENYL P-TOLYL ETHER
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.
CAS-No. : 3402-70-8
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
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Serious eye damage (Category 1), H318
Specific target organ toxicity - single exposure (Category 3), H335
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
Xn Harmful R22, R37/38, R41
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 Danger
Hazard statement(s)
H302 Harmful if swallowed.
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ eye protection/ face protection.
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
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C13H11NO3
Molecular Weight : 229,24 g/mol
CAS-No. : 3402-70-8
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
2-NITROPHENYL P-TOLYL ETHER
CAS-No. 3402-70-8 Acute Tox. 4; Skin Irrit. 2; Eye <= 100 %
Dam. 1; STOT SE 3; H302,
H315, H318, H335
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
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
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
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 vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
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.
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
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

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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) Evapouration 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- log Pow: 2,982
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
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
Specific target organ toxicity - single exposure
May cause respiratory irritation.
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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Toxic to aquatic life.
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. 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
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-(4-甲基苯氧基)-2-硝基苯 在 palladium on activated charcoal PPA 、 氢气 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 生成 2-methyldibenzo[b,f][1,4]oxazepine
  参考文献：
  名称：

  Wardrop,A.W.H. et al., Journal of the Chemical Society. Perkin transactions I, 1976, p. 1279 - 1285

  摘要：

  DOI：
• 作为产物：
  描述：

  2-硝基二苯硫醚 在 乙醇 、 双氧水 、 溶剂黄146 作用下， 生成 1-(4-甲基苯氧基)-2-硝基苯
  参考文献：
  名称：

  199.羟基砜的重排。第三部分

  摘要：

  DOI：

  10.1039/jr9320001488

文献信息

• 新規なトリアジン化合物、それを用いた有機電子素子及び植物栽培用照明
  申请人：国立大学法人山形大学

  公开号：JP2018090561A

  公开（公告）日：2018-06-14

  【課題】三重項のエネルギーレベルが高く耐熱性に優れ、有機電子素子材料として用いたときに、素子の高効率化、低電圧化、長寿命化を実現できるトリアジン化合物の提供。【解決手段】下記一般式〔１〕で示される、トリアジン骨格部分とジベンゾフラン又はジベンゾチオフェン骨格部分がビフェニル骨格部分を介して連結されたトリアジン化合物。なお、Ｘは酸素原子又は硫黄原子である。【選択図】なし

  三重态能级较高，耐热性优异，在作为有机电子元件材料时，提供能实现元件高效化、低电压化、长寿命化的三嗪化合物。具体结构如下一般式〔１〕所示，其中三嗪骨架部分与二苯并呋喃或二苯并噻吩骨架部分通过联结苯骨架部分而成的三嗪化合物。其中，Ｘ为氧原子或硫原子。【选择图】无
• A family of ligand and anion dependent structurally diverse Cu(<scp>ii</scp>) Schiff-base complexes and their catalytic efficacy in an <i>O</i>-arylation reaction in ethanolic media
  作者：Tanmoy Maity、Debraj Saha、Susmita Bhunia、Paula Brandão、Soma Das、Subratanath Koner

  DOI：10.1039/c5ra14758a

  日期：——

  Catalytic O-arylation reactions have been studied by employing a variety of copper(ii) Schiff-base complexes under environmentally benign conditions.

  催化的O-芳基化反应已经通过使用各种铜（II）席夫碱配合物在环境友好条件下进行研究。
• Ligand-free solid supported palladium(0) nano/microparticles promoted C–O, C–S, and C–N cross coupling reaction
  作者：Bandna、Nitul Ranjan Guha、Arun K. Shil、Dharminder Sharma、Pralay Das

  DOI：10.1016/j.tetlet.2012.07.096

  日期：2012.9

  Ligand-free solid-supported nano and microparticles of Pd(0) (SS-Pd) were used as a heterogeneous catalyst in carbon-heteroatom bond formation reactions. Nitro substituted aryl halides reacted with oxygen, sulfur, and nitrogen nucleophiles to afford the corresponding products in good yields. A one-pot sequential cross coupling and nitro-reduction was also performed using the same SS-Pd catalyst to

  Pd（0）（SS-Pd）的无配体固体负载纳米和微粒在碳-杂原子键形成反应中用作多相催化剂。硝基取代的芳基卤化物与氧，硫和氮亲核试剂反应，以高收率提供相应的产物。还使用相同的SS-Pd催化剂进行一锅顺序交叉偶联和硝基还原，以访问胺取代的碳-杂原子分子。此外，SS-Pd最多可循环使用七次，而不会显着降低催化活性。
• Heterogeneous O-arylation of nitroarenes with substituted phenols over a copper immobilized mesoporous silica catalyst
  作者：Tanmoy Maity、Susmita Bhunia、Soma Das、Subratanath Koner

  DOI：10.1039/c6ra04409c

  日期：——

  and robust mesoporous silica, SBA-15 has been subjected to post-synthesis modification for the anchoring of copper through Schiff base moiety formation using the silicon alkoxide route. The hybrid porous material has been fully characterized by powder-XRD, electronic spectra, EPR, thermogravimetric analysis, N2 sorption measurements, and TEM and SEM/EDS studies. The efficiency of the catalyst has been

  高度多孔且坚固的中孔二氧化硅SBA-15经过合成后修饰，用于通过使用烷氧基硅途径形成席夫碱部分形成铜进行锚固。混合多孔材料已经通过粉末XRD，电子光谱，EPR，热重分析，N 2吸附测量以及TEM和SEM / EDS研究得到了充分表征。催化剂的效率已在O中进行了评估非均相条件下，使用各种取代的苯酚和硝基芳烃进行芳基化反应。催化偶合反应有效地产生不对称的二芳基醚。活化具有给电子或吸电子取代基的底物并在催化反应中具有高周转频率的令人印象深刻的能力使得催化剂非常需要。
• Immobilized palladium nanoparticles on MNPs@A-<i>N</i> -AEB as an efficient catalyst for C-O bond formation in water as a green Solvent
  作者：Firouz Matloubi Moghaddam、Mohammad Eslami

  DOI：10.1002/aoc.4463

  日期：2018.9

  presented as an efficient, and reusable magnetically heterogeneous catalyst for the C‐O coupling reaction, namely Ullmann condensation reactions in an aqueous medium. This heterogeneous catalyst shows superior reactivity for the C‐O arylation of different aryl halide (chloride, bromide, and iodide) with phenol derivatives to afford the desired products in good to excellent yields within short reaction

  固定在磁性纳米颗粒钯纳米@ 2-氨基- ñ - （2-氨基乙基）苯甲酰胺（的MNP @ A- Ñ -AEB.Pd 0）已经被提出作为用于C-O耦合一个高效，和可重复使用磁力的非均相催化剂反应，即在水性介质中的乌尔曼缩合反应。这种非均相催化剂对不同的芳基卤化物（氯化物，溴化物和碘化物）与酚衍生物的C-O芳基化反应显示出优异的反应活性，从而在较短的反应时间内以良好的产率提供所需的产物。而且，该催化剂可以容易地回收并重复使用七次而不会损失催化活性。通过多种技术对催化剂进行了表征，例如FT-IR，SEM，TEM，EDS，XRD，TGA和ICP-OES。