2-氟-3-硝基苯甲腈 | 1214328-20-7

• 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: 2-氟-3-硝基苯甲腈
• 中文别名: 2-氟-3-硝基苯腈
• 英文名称: 2-fluoro-3-nitrobenzonitrile
• CAS: 1214328-20-7
• 化学式: C₇H₃FN₂O₂
• 分子量: 166.111
• InChiKey: LHCVWZUYSBZIKE-UHFFFAOYSA-N

物化性质

• 沸点：
  269.5±25.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 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：
  69.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2926909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Fluoro-3-nitrobenzonitrile
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: 2-Fluoro-3-nitrobenzonitrile
CAS number: 1214328-20-7

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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.
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: C7H3FN2O2
Molecular weight: 166.1

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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 fluoride.

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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：

  2-氟-3-硝基苯甲腈 在 硫酸 作用下， 反应 12.0h， 以82%的产率得到2-氟-3-硝基苯甲酸
  参考文献：
  名称：

  [EN] IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS
  [FR] DÉRIVÉS D'IMINOTÉTRAHYDROPYRIMIDINONE UTILISÉS COMME INHIBITEURS DE PLASMEPSINE V

  摘要：

  一系列在6-位置被苯基取代的2-亚氨基-6-甲基四氢嘧啶-4(1H)-酮衍生物，该苯基再通过一个可选取代的不饱和融合双环环系统进行间位取代，该环系统含有至少一个氮原子，作为血液型质体蛋白酶V活性的选择性抑制剂，对于药物制剂特别有益，尤其在治疗疟疾方面。

  公开号：

  WO2017089453A1

文献信息

• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：US20160218303A1

  公开（公告）日：2016-07-28

  A family of phosphorescent emitter compounds containing a carbene ligand L A selected from the group consisting of: is disclosed. These compounds enhance the performance of OLEDs when incorporated therein.

  揭示了一类含有从以下组中选择的卡宾配体L的磷光发射物化合物家族。这些化合物在其中加入后提高了OLED的性能。
• [EN] 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE ET DE 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE UTILISÉS EN TANT QU'INHIBITEURS D'HISTONE ACÉTYLTRANSFÉRASE DE C-MYC ET P300/CBP POUR LE TRAITEMENT DU CANCER
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2019049061A1

  公开（公告）日：2019-03-14

  The invention is directed to substituted 5-(1H-benzo[d]imidazo-2-yl)- pyridin-2-amine and 5-(3H-imidazo[4,5-b]pyridin-6-yl)-pyridin-2-amine derivatives. Specifically, the invention is directed to compounds according to Formula (lb) wherein R', R2', R3', R4', Rs', R6', R7', and X1' are as defined herein; or a salt thereof including a pharmaceutically acceptable salt thereof. The compounds of the invention decrease MYC protein (c-MYC) in cells and/or inhibit p300/CBP histone acetyltransferase and can be useful in the treatment of cardiac hypertrophy, diabetes, obesity & nonalcoholic fatty liver disease, HIV, polycystic kidney disease, inflammatory diseases, ankylosing spondylitis, psoriasis, psoriatic arthritis, rheumatoid arthritis, Crohn's disease, multiple sclerosis, cancer and pre-cancerous syndromes, and diseases associated with dysregulation of Myc or inhibition of p300/CBP histone acetyltransferase. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention still further discloses methods of reducing MYC protein (c-MYC) in cells and inhibiting p300/CBP histone acetyltransferase activity, and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代的5-(1H-苯并[d]咪唑-2-基)-吡啶-2-胺和5-(3H-咪唑[4,5-b]吡啶-6-基)-吡啶-2-胺衍生物。具体而言，本发明涉及根据公式(lb)的化合物，其中R'、R2'、R3'、R4'、Rs'、R6'、R7'和X1'按本说明书中定义；或其盐，包括药用可接受的盐。本发明的化合物能够降低细胞中的MYC蛋白（c-MYC）和/或抑制p300/CBP组蛋白乙酰转移酶，可用于治疗心肌肥大、糖尿病、肥胖和非酒精性脂肪肝疾病、HIV、多囊肾疾病、炎症性疾病、强直性脊柱炎、银屑病、银屑病关节炎、类风湿性关节炎、克罗恩病、多发性硬化症、癌症和前癌症综合症，以及与Myc失调或p300/CBP组蛋白乙酰转移酶抑制相关的疾病。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步公开了使用本发明的化合物或包含本发明化合物的药物组合物，降低细胞中MYC蛋白（c-MYC）和抑制p300/CBP组蛋白乙酰转移酶活性的方法，以及治疗与之相关的疾病的方法。
• [EN] TRPA1 MODULATORS<br/>[FR] MODULATEURS DE TRPA1
  申请人：ALGOMEDIX INC

  公开号：WO2015103060A1

  公开（公告）日：2015-07-09

  This disclosure relates to polycyclic heteroaromatic compounds useful as TRPA1 modulators, as well as compositions and methods of treating pain that include the compounds.

  这份披露涉及到多环杂芳化合物，这些化合物可用作TRPA1调节剂，以及包括这些化合物的用于治疗疼痛的组合物和方法。
• CEREBLON BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH
  申请人：Celgene Corporation

  公开号：US20220002273A1

  公开（公告）日：2022-01-06

  Provided herein are piperidine dione compounds having the following structure: wherein R 1 , R 2 , R 3 , R 4 , L, V, X, A, A′, a and m are as defined herein, compositions comprising an effective amount of a piperidine dione compound, and methods for treating or preventing an androgen receptor mediated disease.

  本文提供了具有以下结构的哌啶二酮化合物：其中R1、R2、R3、R4、L、V、X、A、A'、a和m的定义如本文所述，包括有效量的哌啶二酮化合物的组合物，以及治疗或预防雄激素受体介导疾病的方法。
• [EN] BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIVARAL AGENTS<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE ET LEUR UTILISATION COMME AGENTS ANTIVIRAUX
  申请人：ASTRAZENECA UK LTD

  公开号：WO2010103306A1

  公开（公告）日：2010-09-16

  The invention provides compounds of formula (I) wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11 and R12 are as defined in the specification, and optical isomers, racemates and tautomers thereof, and pharmaceutically acceptable salts thereof; together with processes for their preparation, pharmaceutical compositions containing them and their use in therapy. The compounds are useful in the treatment of respiratory syncytial virus (RSV).

  该发明提供了以下化合物的公式(I)：其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11和R12如规范中所定义，并且其光学异构体、拉丁酸盐和互变异构体，以及其药学上可接受的盐；以及它们的制备方法、含有它们的药物组合物以及它们在治疗中的使用。这些化合物在呼吸道合胞病毒（RSV）的治疗中很有用。