3-硝基双苯并呋喃 | 5410-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-硝基双苯并呋喃
• 中文别名: 3-硝基二苯并呋喃
• 英文名称: 3-nitrodibenzofuran
• 英文别名: 3-nitrodibenzo[b,d]furan；3-nitrobenzo[b,d]furan；3-nitro-dibenzofuran；2-Nitro-diphenylenoxyd
• CAS: 5410-97-9
• 化学式: C₁₂H₇NO₃
• mdl: MFCD00092337
• 分子量: 213.192
• InChiKey: UVFAHDAUVZRVCC-UHFFFAOYSA-N

物化性质

• 熔点：
  181.5°C
• 沸点：
  353.17°C (rough estimate)
• 密度：
  1.2911 (rough estimate)
• 保留指数：
  336
• 稳定性/保质期：
  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  16
• 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：
  59
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn,Xi
• 安全说明：
  S23,S24/25,S26,S36
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 海关编码：
  2932999099
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  避光、存放在阴凉干燥处并密封保存。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3-NITRODIBENZOFURAN
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. : 5410-97-9
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 3), H301
Eye irritation (Category 2), H319
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, R36
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)
H301 Toxic if swallowed.
H319 Causes serious eye irritation.
Precautionary statement(s)
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
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 : C12H7NO3
Molecular Weight : 213,19 g/mol
CAS-No. : 5410-97-9
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
3-NITRODIBENZOFURAN
Acute Tox. 3; Eye Irrit. 2; -
H301, H319
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
3-NITRODIBENZOFURAN
Xn, R22 - R36 -
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. Take victim immediately to hospital. 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
Wear respiratory protection. 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.
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)
A part 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
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
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 N99 (US) or type P2 (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.

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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: 2,971
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
Other decomposition products - no data available
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: HP5295005
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

---

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
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: 2811 IMDG: 2811 IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (3-NITRODIBENZOFURAN)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (3-NITRODIBENZOFURAN)
IATA: Toxic solid, organic, n.o.s. (3-NITRODIBENZOFURAN)
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
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
For this product a chemical safety assessment was not carried out

---

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Irrit. Eye irritation
H301 Toxic if swallowed.
H319 Causes serious eye irritation.
Full text of R-phrases referred to under sections 2 and 3
Xn Harmful
R22 Harmful if swallowed.
R36 Irritating to eyes.
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：

  3-硝基双苯并呋喃 在 palladium 10% on activated carbon 盐酸 、 水 、 氢气 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 、 丙酮 、 正戊烷 为溶剂， 反应 14.75h， 生成 1,1-dimethyl-4H-[1]benzofuro[2,3-f][3,1]benzoxazin-3-one
  参考文献：
  名称：

  [EN] BRIDGED BENZIMIDAZOLE-CARBENE COMPLEXES AND USE THEREOF IN OLEDS
  [FR] COMPLEXES BENZIMIDAZOLE-CARBÈNE PONTÉS ET LEUR UTILISATION DANS LES DELO

  摘要：

  本发明涉及一种一般式（I）的金属-卡宾配合物，其中R5和R6一起，或R6和R7一起，形成一种具有以下结构的单元：其中*表示连接到苯环上携带R5和R6基团或R6和R7基团的碳原子，氧原子连接到携带R5、R6或R7基团的碳原子，A为氧或硫。本发明还涉及包括至少一种根据本发明的金属-卡宾配合物的发光层，以及包括根据本发明的发光层的有机发光二极管，所述设备选自固定式视觉显示单元、移动式视觉显示单元和照明装置，并且根据本发明的金属-卡宾配合物在有机发光二极管中的使用，特别是作为发射体、基质材料、载流子材料和阻挡材料。

  公开号：

  WO2012020327A1
• 作为产物：
  描述：

  二苯并呋喃 在 硝酸 、 三氟乙酸 作用下， 生成 3-硝基双苯并呋喃
  参考文献：
  名称：

  一类新型的，有效的，选择性的和口服活性的前列腺素D2受体拮抗剂的各种衍生物的合成和生物活性。1.双环[2.2.1]庚烷衍生物。

  摘要：

  新型前列腺素D（2）（PGD（2））受体拮抗剂被合成为具有磺酰胺基团的双环[2.2.1]庚烷环系的潜在新型抗过敏药。它们中的一些在放射性配体结合和cAMP形成分析中显示PGD（2）受体的强效拮抗作用，IC（50）值低于50 nM，而TXA（2）和PGI（2）受体的拮抗作用小得多。这些有效的PGD（2）受体拮抗剂经口服给予后，可显着抑制各种变应性炎症反应，例如变应性鼻炎，结膜炎和哮喘模型中血管通透性的增加。最初在我们实验室中合成的PGD（2）受体拮抗剂的优异药理学特征具有潜在的重大临床意义。

  DOI：

  10.1021/jm020517g

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
• 一种三芳胺衍生物及其有机电致发光器件
  申请人：长春海谱润斯科技有限公司

  公开号：CN108341795A

  公开（公告）日：2018-07-31

  本发明公开了一种三芳胺衍生物及其有机电致发光器件，涉及有机光电材料技术领域。本发明的三芳胺衍生物的共轭体系较大，因此具有较高的空穴迁移率，表现出较好的空穴传输性能，另外本发明的三芳胺衍生物还具有较好的热稳定性和溶解性，有利于材料成膜。本发明的有机电致发光器件包括阴极、阳极以及一个或多个有机物层，有机物层位于阴极和阳极之间，有机物层中的至少一层含有本发明的三芳胺衍生物，本发明的有机电致发光器件，具有较低的驱动电压，较高的发光效率和发光亮度，并且具有较长的使用寿命。
• [EN] LUMINESCENT DIAZABENZIMIDAZOLE CARBENE METAL COMPLEXES<br/>[FR] COMPLEXES DIAZABENZIMIDAZOLE CARBÈNE-MÉTAL LUMINESCENTS
  申请人：BASF SE

  公开号：WO2015014835A1

  公开（公告）日：2015-02-05

  The present invention relates to metal-carbene complexes of the general formula (I), where variable M is Ir or Pt and that are characterized by variable R being a group of formula (a). The complexes are used in organic electronic devices, especially OLEDs (Organic Light-Emitting Diodes), illuminating elements, stationary visual display units and in material layers as emitter, charge transport material and/or charge or exiton blocker.

  本发明涉及通式（I）的金属-卡宾配合物，其中变量M是Ir或Pt，并且其特征在于变量R是具有结构式（a）的基团。这些配合物用于有机电子设备，特别是OLED（有机发光二极管）、照明元件、固定视觉显示单元，以及作为发射体、载流子传输材料和/或载流子或激子阻挡层的材料层中。
• 具有Wnt信号通路抑制活性的杂环化合物
  申请人：苏州云轩医药科技有限公司

  公开号：CN104557862B

  公开（公告）日：2017-05-17

  本发明涉及一种具有Wnt信号通路抑制活性的杂环化合物，包括该化合物及其药学上可接受的盐、各种同位素、各种异构体或各种晶型结构，具有通式I所示的结构：本发明所涉及的化合物及其联合应用组合物可以有效抑制Wnt信号通路，能够用于治疗或预防与Wnt信号通路相关的病症。
• 一种含3-苯基哒嗪结构的磷光铱配合物及其 应用
  申请人：江苏三月光电科技有限公司

  公开号：CN105481903B

  公开（公告）日：2018-08-17

  本发明公开了一种含3‑苯基哒嗪结构的磷光铱配合物及其应用，该磷光铱配合物以金属铱为内核，作为发光层的磷光掺杂材料，可用于OLED发光或OLED显示领域。本发明绿色磷光铱配合物制成的OLED器件可实现高亮度，高效率，低电压的效果。

表征谱图