2-溴-6-羟基苯甲腈 | 73289-85-7

• 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-溴-6-羟基苯甲腈
• 中文别名: 2-溴-6-羟基苯腈
• 英文名称: 2-bromo-6-hydroxybenzonitrile
• CAS: 73289-85-7
• 化学式: C₇H₄BrNO
• 分子量: 198.019
• InChiKey: YCJPUFJBGIVSTM-UHFFFAOYSA-N

物化性质

• 沸点：
  320.5±32.0 °C(Predicted)
• 密度：
  1.79±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  44
• 氢给体数：
  1
• 氢受体数：
  2

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-Bromo-6-hydroxybenzonitrile
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-Bromo-6-hydroxybenzonitrile
CAS number: 73289-85-7

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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: C7H4BrNO
Molecular weight: 198.0

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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：

  2-溴-6-羟基苯甲腈 在 hydroxide 作用下， 以 水 为溶剂， 生成 5-Bromo-2-dimethylamino-benzo[e][1,3]oxazin-4-one
  参考文献：
  名称：

  Kokel, Bruno, Heterocycles, 1984, vol. 21, # 2, p. 709

  摘要：

  DOI：

文献信息

• CuSO₄-Catalyzed dual annulation to synthesize O, S or N-containing tetracyclic heteroacenes
  作者：Xiang-Huan Shan、Bo Yang、Jian-Ping Qu、Yan-Biao Kang

  DOI：10.1039/d0cc01172j

  日期：——

  In this work, CuSO₄ is utilized as a practical redox catalyst for tandem dual annulation in the synthesis of indole-fused tetracyclic heteroacenes, which are important skeletons in both medicinal chemistry and materials chemistry.

  在这项工作中，CuSO₄被用作串联双环化合成吲哚并联四环杂芳烃的实用氧化还原催化剂，这些化合物是药物化学和材料化学中重要的骨架。
• COMPOUNDS USEFUL AS IMMUNOMODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20170107202A1

  公开（公告）日：2017-04-20

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.

  本发明公开一般涉及可用作免疫调节剂的化合物。本发明提供了化合物、包含此类化合物的组合物及其使用方法。本发明还涉及包含至少一种根据本发明的化合物的药物组合物，这些药物组合物可用于治疗各种疾病，包括癌症和传染病。
• [EN] ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE<br/>[FR] COMPOSÉ ORGANIQUE, ÉLÉMENT ÉLECTROLUMINESCENT, DISPOSITIF ÉLECTROLUMINESCENT, DISPOSITIF ÉLECTRONIQUE, ET DISPOSITIF D'ÉCLAIRAGE
  申请人：SEMICONDUCTOR ENERGY LAB

  公开号：WO2018234926A1

  公开（公告）日：2018-12-27

  A novel organic compound is provided. That is, a novel organic compound that is effective in improving the element characteristics and reliability is provided. The organic compound has a benzofuropyrimidine skeleton or a benzothienopyrimidine skeleton and is represented by General Formula (G1). Note that in General Formula (G1), Q represents oxygen or sulfur; alpha represents a substituted or unsubstituted arylene group having 6 to 13 carbon atoms; n represents an integer of 0 to 4; A1 represents a group including an aryl group or a heteroaryl group and having 6 to 100 carbon atoms; R1 to R4 independently represent any one of hydrogen, a substituted or unsubstituted alkyl group having 1 to 6 carbon atoms, a substituted or unsubstituted cycloalkyl group having 3 to 7 carbon atoms, and a substituted or unsubstituted aryl group having 6 to 13 carbon atoms; and A2 represents a condensed ring.

  提供了一种新型有机化合物。即提供了一种能够改善元素特性和可靠性的新型有机化合物。该有机化合物具有苯并呋喃嘧啶骨架或苯并噻吩嘧啶骨架，并由通用式（G1）表示。请注意，在通用式（G1）中，Q代表氧或硫；α代表一个带有6至13个碳原子的取代或未取代的芳基烃基；n代表0至4的整数；A1代表包括芳基或杂环烃基且具有6至100个碳原子的基团；R1至R4独立地代表氢、具有1至6个碳原子的取代或未取代的烷基基团、具有3至7个碳原子的取代或未取代的环烷基基团，以及具有6至13个碳原子的取代或未取代的芳基基团；A2代表一个螺合环。
• 5-Aryltetrazole Compounds, compositions thereof, and uses therefor
  申请人：——

  公开号：US20040019208A1

  公开（公告）日：2004-01-29

  The present invention relates to 5-Aryltetrazole compounds, compositions comprising a 5-Aryltetrazole compound, and methods for treating an inflammation disease, a reperfusion disease, hyperuricemia, gout, or tumor-lysis syndrome in an animal in need thereof comprising administering to the animal an effective amount of a 5-Aryltetrazole compound.

  本发明涉及5-芳基四唑化合物，包括5-芳基四唑化合物的组合物，以及用于治疗动物中的炎症性疾病、再灌注性疾病、高尿酸血症、痛风或肿瘤溶解综合征的方法，包括向动物投予有效量的5-芳基四唑化合物。
• 5-ARYLTETRAZOLE COMPOUNDS AND COMPOSITIONS THEREOF
  申请人：NIVOROZHKIN Alexander

  公开号：US20060135519A2

  公开（公告）日：2006-06-22

  Abstract of the Disclosure ABSTRACT5-ARYLTETRAZOLES COMPOUNDS AND COMPOSITIONS THEREOFThe present invention relates to 5-Aryltetrazole Compounds, compositions comprising an effective amount of a 5-Arytetrazole Compound, and methods for treating an inflammation disease, a reperfusion disease, or hyperuricemia in an animal in need thereof comprising administering to the animal an effective amount of a 5-Aryltetrazole compound.

  本发明涉及5-芳基四唑化合物、包含有效量5-芳基四唑化合物的组合物，以及治疗动物体内的炎症性疾病、再灌注疾病或高尿酸血症的方法，包括向动物体内投与有效量的5-芳基四唑化合物。