3-氨基-5-硝基苯基硼酸 | 89466-05-7

• 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: 3-氨基-5-硝基苯基硼酸
• 英文名称: (3-amino-5-nitro)phenyl boronic acid
• 英文别名: 3-Amino-5-nitrophenylboronic acid；(3-amino-5-nitrophenyl)boronic acid
• CAS: 89466-05-7
• 化学式: C₆H₇BN₂O₄
• mdl: MFCD08436012
• 分子量: 181.944
• InChiKey: KLVJZQJSYAKUKK-UHFFFAOYSA-N

物化性质

• 沸点：
  484.1±55.0 °C(Predicted)
• 密度：
  1.48±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.81
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
3-Amino-5-nitrophenylboronic acid
Product Name:
Synonyms: 3-Borono-5-nitroaniline

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
3-Amino-5-nitrophenylboronic acid
Ingredient name:
CAS number: 89466-05-7

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels, refrigerated.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H7BN2O4
Molecular weight: 181.9

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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.

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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：

  3-氨基-5-硝基苯基硼酸 、 1-(5-bromo-1,3-thiazol-2-yl)cyclobutanol 、 disodium;carbonate 在 四(三苯基膦)钯 乙酸乙酯 、 Brine 、 Sodium sulfate-III 、 silica gel 、 hexanes 作用下， 以 乙二醇二甲醚 为溶剂， 反应 5.0h， 以to provide 26.53 g (91 mmol, 92%) of 1-[5-(3-amino-5-nitrophenyl)-1,3-thiazol-2-yl]cyclobutanol as a green solid的产率得到1-[5-(3-氨基-5-硝基苯基)-1,3-噻唑-2-基]环丁醇
  参考文献：
  名称：

  Aminopyrimidines as SYK Inhibitors

  摘要：

  本发明提供了一种新的嘧啶胺化合物(I)，其是脾酪氨酸激酶的有效抑制剂，并且可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺病和类风湿性关节炎。

  公开号：

  US20140243290A1

文献信息

• AMINOPYRIMIDINES AS SYK INHIBITORS
  申请人：Altman Michael D.

  公开号：US20120309735A1

  公开（公告）日：2012-12-06

  The present invention provides novel pyrimidine amines of formula (I) which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis.

  本发明提供了一种新型的嘧啶胺化合物式(I)，它们是脾酪氨酸激酶的有效抑制剂，并可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺疾病和类风湿性关节炎。
• Aminopyrimidines as SYK inhibitors
  申请人：Altman Michael D.

  公开号：US08551984B2

  公开（公告）日：2013-10-08

  The present invention provides novel pyrimidine amines of formula (I) which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis.

  本发明提供了式（I）的新型嘧啶胺，它们是脾酪氨酸激酶的有效抑制剂，并且可用于治疗和预防由该酶介导的疾病，如哮喘、COPD和类风湿性关节炎。
• Aminopyrimidines as Syk inhibitors
  申请人：Altman Michael D.

  公开号：US08735417B2

  公开（公告）日：2014-05-27

  The present invention provides novel pyrimidine amines of formula (I) which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis.

  本发明提供了一种新型嘧啶胺化合物(I)，它是脾酪氨酸激酶的有效抑制剂，可用于治疗和预防由该酶介导的疾病，如哮喘、COPD和类风湿性关节炎。
• Aminopyrimidines as SYK Inhibitors
  申请人：Altman Michael D.

  公开号：US20140243290A1

  公开（公告）日：2014-08-28

  The present invention provides novel pyrimidine amines of formula (I) which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis.

  本发明提供了一种新的嘧啶胺化合物(I)，其是脾酪氨酸激酶的有效抑制剂，并且可用于治疗和预防由该酶介导的疾病，如哮喘、慢性阻塞性肺病和类风湿性关节炎。