4-溴-3-硝基吡啶 | 23056-44-2

• 物质功能分类: 医药中间体 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 4-溴-3-硝基吡啶
• 中文别名: 四溴-3-硝基
• 英文名称: 4-bromo-3-nitropyridine
• CAS: 23056-44-2
• 化学式: C₅H₃BrN₂O₂
• 分子量: 202.995
• InChiKey: KVZNAGBWCCVHKG-UHFFFAOYSA-N

物化性质

• 沸点：
  240℃
• 密度：
  1.83
• 闪点：
  99℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-3-nitropyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-3-nitropyridine
CAS number: 23056-44-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, under −20◦C.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C5H3BrN2O2
Molecular weight: 203

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-溴-3-硝基吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 、 sodium t-butanolate 、 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  화합물, 이를 포함하는 유기광전자소자 및 표시장치

  摘要：

  这是关于包含该化合物的有机光电子器件以及包含该有机光电子器件的显示装置的专利申请。提供了如下表示为化学式Ⅰ的化合物。【化学式Ⅰ】（在上述化学式Ⅰ中，R至R，X和X的定义如规范中所定义。）

  公开号：

  KR20150041508A
• 作为产物：
  描述：

  4-甲氧基-3-硝基吡啶 、 氢溴酸 在 4-羟基-3-硝基吡啶 、 crude product 、 三溴氧磷 、 氯仿 、 ice 、 乙酸乙酯 、 水 、 Brine 、 magnesium sulfate 、 silica gel 作用下， 以 甲苯 为溶剂， 反应 18.0h， 以to provide the title compound (2.6 g)的产率得到4-溴-3-硝基吡啶
  参考文献：
  名称：

  Selective estrogen receptor modulator

  摘要：

  本发明提供了一种由以下式（I）表示的化合物; [其中T代表单键，C1-C4烷基，可能具有取代基等; (I-1)式（I-1）表示单键或双键; A代表单键，二价5-至14-成员杂环基，可能具有取代基等; Y代表单键等; Z代表亚甲基等; 环G代表苯基等，可以与5-至6-成员环缩合，可以具有杂原子; Ra和Rb相同或不同，代表氢原子等; W代表单键等; R'代表1至4个独立氢原子等; R''代表1至4个独立氢原子等]或其盐或其水合物。

  公开号：

  US07960412B2

文献信息

• 一种含有氮杂五元并环的化合物及其在有机电致发光器件上的应用
  申请人：江苏三月光电科技有限公司

  公开号：CN110551135A

  公开（公告）日：2019-12-10

  本发明公开了一种含有氮杂五元并环的化合物及其在有机电致发光器件上的应用，该化合物由氮杂五元并环基团组成，具有深的HOMO能级和高空穴迁移率，适合作为电子阻挡材料；另外，本发明化合物基团刚性较强，具有分子间不易结晶、不易聚集、成膜性良好的特点。作为有机电致发光功能层材料应用于OLED器件后，器件的电流效率，功率效率和外量子效率均得到很大改善；同时，器件寿命的提升非常明显。
• 一种磷光化合物、其制备方法及有机电致发光器件
  申请人：吉林奥来德光电材料股份有限公司

  公开号：CN111187263A

  公开（公告）日：2020-05-22

  本发明公开了一种磷光化合物、其制备方法及有机电致发光器件，属于化学合成及光电材料领域，其结构通式为：式中，X为C或N；Ar为C1～C30烷基、C2～C30烯基、C2～C30炔基、C3～C30环烷基、C1～C30烷氧基、C1～C60烷基氨基、C6～C60芳氧基、C6～C60芳硫基、C3～C10杂环烷基、C5～C30螺环基、C6～C30稠环、C6～C30芳基、C3～C10杂芳基、C3～C10杂芳基胺基、C6～C60芳基胺基、与相邻取代基连接形成的单环或多环的C3～C10脂肪族环或C3～C10芳香族环中的一种。该磷光化合物可用作为有机电致发光器件的材料，以提高有机电致发光器件的发光效率和使用寿命。
• Selective Estrogen Receptor Modulator
  申请人：Hamaoka Shinichi

  公开号：US20120004315A1

  公开（公告）日：2012-01-05

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供一种由以下式（I）表示的化合物; [其中T表示单键，可能具有取代基的C1-C4烷基和类似物；式（I-1）表示单键或双键；A表示单键，可能具有取代基的双价5-至14-成员杂环基和类似物；Y表示单键和类似物；Z表示亚甲基基团和类似物；环G表示苯基团和类似物，可能与5-至6-成员环缩合并可能具有杂原子；Ra和Rb相同或不同，表示氢原子和类似物；W表示单键和类似物；R'表示1到4个独立的氢原子和类似物；R''表示1到4个独立的氢原子和类似物]或其盐或水合物。
• SELECTIVE ESTROGEN RECEPTOR MODULATOR
  申请人：Hamaoka Shinichi

  公开号：US20090325930A1

  公开（公告）日：2009-12-31

  The present invention provides a compound represented by the following formula (I); [wherein T represents a single bond, a C1-C4 alkylene group which may have a substituent and the like; (I-1) formula (I-1) represents a single bond or a double bond; A represents a single bond, a bivalent 5- to 14-membered heterocyclic group which may have a substituent and the like; Y represents a single bond and the like; Z represents a methylene group and the like; ring G represents a phenylene group and the like which may condense with a 5- to 6-membered ring and may have a heteroatom; R a and R b are the same as or different from each other and represent a hydrogen atom and the like; W represents a single bond and the like; R′ represents 1 to 4 independent hydrogen atoms and the like; and R″ represents 1 to 4 independent hydrogen atoms and the like] or a salt thereof, or a hydrate thereof.

  本发明提供了一种由以下式（I）表示的化合物；[其中，T表示单键，C1-C4烷基，可以有取代基等；（I-1）式（I-1）表示单键或双键；A表示单键，双价的5-至14-成员杂环基，可以有取代基等；Y表示单键等；Z表示亚甲基等；环G表示苯基等，可以与5-至6-成员环缩合，可以有杂原子；Ra和Rb相同或不同，表示氢原子等；W表示单键等；R′表示1至4个独立的氢原子等；R″表示1至4个独立的氢原子等]或其盐，或其水合物。