5-溴-2,3-二氯吡啶 | 97966-00-2

• 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 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 5-溴-2,3-二氯吡啶
• 中文别名: 2,3-二氯-5-溴吡啶
• 英文名称: 5-bromo-2,3-dichloropyridine
• 英文别名: 2,3-dichloro-5-bromopyridine
• CAS: 97966-00-2
• 化学式: C₅H₂BrCl₂N
• mdl: MFCD04112492
• 分子量: 226.888
• InChiKey: XWSCOGPKWVNQSV-UHFFFAOYSA-N

物化性质

• 熔点：
  35-37°C
• 沸点：
  55-65 C
• 密度：
  1.848±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少量）、DMSO（少量）

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  9
• 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：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  存储条件：2-8°C，密封保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
5-Bromo-2,3-dichloropyridine
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H318: Causes serious eye damage
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
5-Bromo-2,3-dichloropyridine
Ingredient name:
CAS number: 97966-00-2

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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.

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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: C5H2BrCl2N
Molecular weight: 226.9

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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, hydrogen chloride, 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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (5-Bromo-2,3-dichloropyridine)

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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：

  5-溴-2,3-二氯吡啶 在 tris-(dibenzylideneacetone)dipalladium(0) sodium hydroxide 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 sodium t-butanolate 作用下， 以 水 、 乙酸乙酯 、 甲苯 为溶剂， 反应 15.67h， 生成 3-(5,6-dichloro-pyridin-3-yl)-1(S),5(S)-3,6-diazabicyclo[3.2.0]heptane
  参考文献：
  名称：

  (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent

  摘要：

  本发明公开了（1S,5S）-3-(5,6-二氯-3-吡啶基)-3,6-二氮杂双环[3.2.0]庚烷及其用于治疗与尼古丁乙酰胆碱受体相关的疼痛和其他疾病的用途。

  公开号：

  US20040242641A1
• 作为产物：
  描述：

  2-羟基-5-硝基吡啶 在 喹啉 、 盐酸 、 potassium chlorate 、 氢溴酸 、 tin(ll) chloride 、 sodium nitrite 、 三氯氧磷 作用下， 以 水 为溶剂， 反应 6.25h， 生成 5-溴-2,3-二氯吡啶
  参考文献：
  名称：

  (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent

  摘要：

  本发明公开了（1S,5S）-3-(5,6-二氯-3-吡啶基)-3,6-二氮杂双环[3.2.0]庚烷及其用于治疗与尼古丁乙酰胆碱受体相关的疼痛和其他疾病的用途。

  公开号：

  US20040242641A1

文献信息

• [EN] THIENOPYRIDINE CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS<br/>[FR] THIÉNOPYRIDINE CARBOXAMIDES UTILISÉS COMME INHIBITEURS DE PROTÉASE SPÉCIFIQUE DE L'UBIQUITINE
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2017139778A1

  公开（公告）日：2017-08-17

  The disclosure relates to inhibitors of USP28 and/or USP25 useful in the treatment of cancers, inflammation, autoimmune diseases, and infectious diseases, having the Formula (I), where R1, R2, R3, R4, R5, R5', R6, R7, X, m, and n are described herein.

  该披露涉及抑制剂USP28和/或USP25，用于治疗癌症、炎症、自身免疫疾病和传染病，具有式(I)，其中R1、R2、R3、R4、R5、R5'、R6、R7、X、m和n如本文所述。
• [EN] IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST<br/>[FR] DÉRIVÉS D'IMIDAZO[2,1-F] [1, 2, 4] TRIAZIN-4-AMINE UTILISÉS EN TANT QU'AGONISTES DE TLR7
  申请人：BEIGENE LTD

  公开号：WO2020160711A1

  公开（公告）日：2020-08-13

  Disclosed herein is an imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof useful as a TLR7 agonist, and a pharmaceutical composition comprising the same. Also disclosed herein is a method of treating cancer using the imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivative or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof as TLR7 agonist.

  披露的是一种咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐，用作TLR7激动剂，以及包含该化合物的药物组合物。还披露了一种使用咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐作为TLR7激动剂来治疗癌症的方法。
• Azabicyclic compounds are central nervous system active agents
  申请人：——

  公开号：US20040044029A1

  公开（公告）日：2004-03-04

  Compounds of formula (I) 1 are novel CNS active agents that are useful for treating pain and for treating other disorders associated with the cholinergic system.

  公式(I)1的化合物是新颖的中枢神经系统活性剂，用于治疗疼痛以及治疗与胆碱能系统相关的其他疾病。
• [EN] SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF<br/>[FR] BENZAMIDES SUBSTITUÉS ET LEURS MÉTHODES D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2015078374A1

  公开（公告）日：2015-06-04

  The invention provides compounds having the general formula I, and pharmaceutically acceptable salts thereof, wherein the variables RA, RAA, subscript n, ring A, X2, L, subscript m, X1, R1, R2, R3, R4, R5, and RN have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  这项发明提供了具有一般式I的化合物及其药用盐，其中变量RA、RAA、下标n、环A、X2、L、下标m、X1、R1、R2、R3、R4、R5和RN的含义如本文所述，并包含这种化合物的组合物和使用这种化合物和组合物的方法。
• Modulators of 11- beta hydroxyl steroid dehydrogenase type 1, pharmaceutical compositions thereof, and methods of using the same
  申请人：Zhuo Jincong

  公开号：US20070208001A1

  公开（公告）日：2007-09-06

  The present invention relates to inhibitors of 11-β hydroxyl steroid dehydrogenase type 1 and pharmaceutical compositions thereof. The compounds of the invention can be useful in the treatment of various diseases associated with expression or activity of 11-β hydroxyl steroid dehydrogenase type 1.

  本发明涉及11-β羟基类固醇脱氢酶1型的抑制剂及其药物组合物。本发明的化合物可用于治疗与11-β羟基类固醇脱氢酶1型的表达或活性相关的各种疾病。