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4,5-二氟-2-溴苯腈 | 64695-82-5

中文名称
4,5-二氟-2-溴苯腈
中文别名
2-溴-4,5-二氟苯腈
英文名称
2-bromo-4,5-difluorobenzonitrile
英文别名
——
4,5-二氟-2-溴苯腈化学式
CAS
64695-82-5
化学式
C7H2BrF2N
mdl
MFCD09864661
分子量
218.0
InChiKey
YHOIAMUAYXTORN-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    63-64℃
  • 沸点:
    255.5±40.0 °C(Predicted)
  • 密度:
    1.774

计算性质

  • 辛醇/水分配系数(LogP):
    2.5
  • 重原子数:
    11
  • 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:
    23.8
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 危险等级:
    6.1
  • 危险品标志:
    T
  • 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

SDS:4d8f1d986adca404eaab3aa4af2be400
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Material Safety Data Sheet

Section 1. Identification of the substance
Product Name: 2-Bromo-4,5-difluorobenzonitrile
Synonyms:

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

Section 3. Composition/information on ingredients.
Ingredient name: 2-Bromo-4,5-difluorobenzonitrile
CAS number: 64695-82-5

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.

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.

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.

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, refrigerated.
Storage:

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.

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: C7H2BrF2N
Molecular weight: 218

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, hydrogen bromide.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

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.

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

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.


SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

点击查看最新优质反应信息

文献信息

  • Synthesis of Isoquinolones by Sequential Suzuki Coupling of 2-Halobenzonitriles with Vinyl Boronate Followed by Cyclization
    作者:Saul Jaime-Figueroa、Michael J. Bond、J. Ignacio Vergara、Jake C. Swartzel、Craig M. Crews
    DOI:10.1021/acs.joc.1c00472
    日期:2021.6.18
    A novel, facile, and expeditious two-step synthesis of 3,4-unsubstituted isoquinolin-1(2H)-ones from a Suzuki cross-coupling between 2-halobenzonitriles and commercially available vinyl boronates followed by platinum-catalyzed nitrile hydrolysis and cyclization is described.
    通过2-卤代苯甲腈和市售乙烯基硼酸酯之间的 Suzuki 交叉偶联,然后铂催化的腈水解和环化,一种新颖、简便且快速的两步合成 3,4-未取代的异喹啉-1(2 H )-酮被描述。
  • PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF
    申请人:Navitor Pharmaceuticals, Inc.
    公开号:US20180127370A1
    公开(公告)日:2018-05-10
    The present invention provides compounds, compositions thereof, and methods of using the same.
    本发明提供了化合物、其组合物以及使用它们的方法。
  • [EN] ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS<br/>[FR] ARYLSULFONAMIDES UTILISÉS EN TANT QU'INHIBITEURS DE STAT3 À PETITES MOLÉCULES
    申请人:UNIV HAWAII
    公开号:WO2021016333A1
    公开(公告)日:2021-01-28
    The present disclosure provides pharmaceutical compositions comprising aryl sulfonamide Stat3 small molecule inhibitors and certain pharmaceutically acceptable salts thereof, and methods of their use for treating cancer.
    本公开提供了含有芳基磺酰胺Stat3小分子抑制剂及其某些药用可接受盐的药物组合物,并其治疗癌症的使用方法。
  • Donor Interlocked Molecular Design for Fluorescence-like Narrow Emission in Deep Blue Thermally Activated Delayed Fluorescent Emitters
    作者:Yong Joo Cho、Sang Kyu Jeon、Sang-Shin Lee、Eunsun Yu、Jun Yeob Lee
    DOI:10.1021/acs.chemmater.6b01484
    日期:2016.8.9
    Deep blue thermally activated delayed fluorescent (TADF) emitters with a narrow emission spectrum were developed by managing the molecular structure of the TADF emitters. The deep blue TADF emitters were designed to show large steric hindrance at the central core of the molecule and small singlet–triplet energy gap. The molecular engineering of the deep blue TADF emitters enabled the fabrication of
    通过管理TADF发射器的分子结构,开发了具有窄发射光谱的深蓝色热激活延迟荧光(TADF)发射器。深蓝色TADF发射器设计为在分子的中心区域显示出较大的位阻,并在单重态-三重态的能量间隙较小。深蓝色TADF发射器的分子工程设计使得能够制造深蓝色TADF器件,其半峰全宽仅为48 nm,量子效率为14.0%。深蓝色TADF器件的半峰全宽与常规荧光器件相似,而量子效率却提高了两倍多。
  • DOPANT FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE
    申请人:SAMSUNG SDI CO., LTD.
    公开号:US20180215711A1
    公开(公告)日:2018-08-02
    The present invention relates to a dopant for an organic optoelectronic device represented by Chemical Formula 1, and to an organic optoelectronic device and a display device comprising the dopant.
    本发明涉及一种有机光电器件的掺杂剂,其化学式表示为化学式1,并且涉及包括该掺杂剂的有机光电器件和显示器件。
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