2-氯-3-溴-5-甲基吡啶 | 17282-03-0

• 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: 2-氯-3-溴-5-甲基吡啶
• 中文别名: 3-溴-2-氯-5-甲基吡啶；3-溴-2-氯-5-甲基砒啶
• 英文名称: 3-bromo-2-chloro-5-methyl-pyridine
• 英文别名: 2-chloro-3-bromo-5-methylpyridine；3-Bromo-2-chloro-5-methylpyridine
• CAS: 17282-03-0
• 化学式: C₆H₅BrClN
• mdl: MFCD01830664
• 分子量: 206.469
• InChiKey: ISNRJFOYJNIKTN-UHFFFAOYSA-N

物化性质

• 熔点：
  65-68
• 沸点：
  247.5±35.0 °C(Predicted)
• 密度：
  1.624±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 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：
  Xn
• 安全说明：
  S22,S26,S36/37/39
• 危险类别码：
  R20/21/22,R36/37/38
• 危险品运输编号：
  2811
• 海关编码：
  2933399090
• 包装等级：
  Ⅲ
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  2-8°C

SDS

Name:	2-Chloro-3-bromo-5-methylpyridine Material Safety Data Sheet
Synonym:	None Known
CAS:	17282-03-0

Section 1 - Chemical Product MSDS Name:2-Chloro-3-bromo-5-methylpyridine Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
17282-03-0	2-Chloro-3-bromo-5-methylpyridine	97+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17282-03-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 65 - 68 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H5BrClN
Molecular Weight: 206.47

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17282-03-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-3-bromo-5-methylpyridine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 17282-03-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17282-03-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17282-03-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-氯-3-溴-5-甲基吡啶 在 silver hexafluoroantimonate 、 四(三苯基膦)钯 、 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 hydrazine hydrate 、 potassium carbonate 、 溶剂黄146 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 水 、 苯 为溶剂， 反应 48.0h， 生成 3-甲基-1H-吡啶并[2,3-B]吲哚
  参考文献：
  名称：

  1,2,3,4-四唑通过电环化的 Ir 催化分子内环化/C(sp2)-H 胺化

  摘要：

  描述了一种对含有 C8 取代芳烃、杂芳烃和烯烃的 1,2,3,4-四唑进行分子内脱氮环化/C(sp2)-H 胺化的有效策略。该过程涉及通过 [Cp*IrCl2]2 和 AgSbF6 的组合从四唑生成金属-氮烯中间体。已经表明该反应通过前所未有的电环化过程进行。该方法已成功应用于合成各种 α-咔啉和 7-氮杂吲哚。

  DOI：

  10.1021/jacs.8b05343
• 作为产物：
  描述：

  2-氨基-3-溴-5-甲基吡啶 在 盐酸 、 sodium nitrite 、 氨 作用下， 以 水 为溶剂， 生成 2-氯-3-溴-5-甲基吡啶
  参考文献：
  名称：

  [EN] ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS
  [FR] DERIVES D'ADAMANTYL UTILISES COMME ANTAGONISTES DU RECEPTEUR P2X7

  摘要：

  这项发明提供了公式(I)化合物及其药用可接受盐或溶剂化物，其中R1、A1、m和A如规范中定义；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应用。

  公开号：

  WO2006025783A1

文献信息

• Optimization of the First Selective Steroid-11β-hydroxylase (CYP11B1) Inhibitors for the Treatment of Cortisol Dependent Diseases
  作者：Ulrike E. Hille、Christina Zimmer、Jörg Haupenthal、Rolf W. Hartmann

  DOI：10.1021/ml100283h

  日期：2011.8.11

  CYP11B1 is the key enzyme in cortisol biosynthesis, and its inhibition with selective compounds is a promising strategy for the treatment of diseases associated with elevated cortisol levels, such as Cushing’s syndrome or metabolic disease. Expanding on a previous study from our group resulting in the first potent and rather selective inhibitor described so far (1, IC50 = 152 nM), we herein describe

  CYP11B1 是皮质醇生物合成的关键酶，它用选择性化合物抑制是治疗与皮质醇水平升高相关的疾病（如库欣综合征或代谢疾病）的有前景的策略。Expanding on a previous study from our group resulting in the first potent and rather selective inhibitor described so far ( 1 , IC 50 = 152 nM), we herein describe further optimizations of the imidazolylmethyl pyridine core. 合成的 42 种物质中有五种化合物的 IC 50值低于 50 nM。最有趣的是naphth-1-yl 化合物23 (IC 50 = 42 nM)，对高度同源的CYP11B2 ( 1：18 倍）以及分别对雄激素和雌激素形成酶
• [EN] IMIDAZOPYRROLIDINONE COMPOUNDS<br/>[FR] COMPOSÉS IMIDAZOPYRROLIDINONE
  申请人：NOVARTIS AG

  公开号：WO2013111105A1

  公开（公告）日：2013-08-01

  The invention relates to compounds of formula (I): (I) as described herein, pharmaceutical preparations comprising such compounds, uses and methods of use for such compounds in the treatment of a disorder or a disease mediated by the activity of MDM2 and/or MDM4, and combinations comprising such compounds.

  这项发明涉及式(I)的化合物：(I)如本文所述，包括这种化合物的药物制剂，以及在治疗由MDM2和/或MDM4活性介导的疾病或疾病中使用这种化合物的用途和方法，以及包含这种化合物的组合物。
• Iron‐Catalyzed Radical Activation Mechanism for Denitrogenative Rearrangement Over C(sp ³ )–H Amination
  作者：Satyajit Roy、Sandip Kumar Das、Hillol Khatua、Subrata Das、Krishna Nand Singh、Buddhadeb Chattopadhyay

  DOI：10.1002/anie.202014950

  日期：2021.4.12

  An iron‐catalyzed denitrogenative rearrangement of 1,2,3,4‐tetrazole is developed over the competitive C(sp3)–H amination. This catalytic rearrangement reaction follows an unprecedented metalloradical activation mechanism. Employing the developed method, a wide number of complex‐N‐heterocyclic product classes have been accessed. The synthetic utility of this radical activation method is showcased with

  在竞争性的C（sp 3）–H胺化反应中，形成了铁催化的1,2,3,4-四唑脱氮重排。这种催化重排反应遵循前所未有的金属铁活化机理。使用已开发的方法，已经访问了许多复杂的N杂环产品类别。这种自由基活化方法的合成实用性通过生物活性分子的短合成得以展示。总的来说，这一发现强调了自由基激活策略的进展，该策略应在药物化学，药物发现和天然产物合成研究的角度得到广泛应用。
• 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents
  申请人：Andjelkovic Mirjana

  公开号：US20080085906A1

  公开（公告）日：2008-04-10

  The present invention relates to a method of raising HDL cholesterol comprising administering to a patient in need thereof a compound of the formula wherein A, G, R 1 to R 8 and R 17 are as defined in the description.

  本发明涉及一种提高HDL胆固醇的方法，包括向需要的患者施用以下公式的化合物： 其中A、G、R1至R8和R17如描述中所定义。
• [EN] AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS<br/>[FR] DÉRIVÉS AMINO-HÉTÉROARYLE EN TANT QUE COMPOSÉS BLOQUANT HCN
  申请人：ORGANON NV

  公开号：WO2011076723A1

  公开（公告）日：2011-06-30

  The invention relates to amino-heteroaryl derivatives having the general Formula I or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same, as well as to the use of these derivatives for the treatment of pain, such as neuropathic pain or inflammatory pain.

  这项发明涉及具有一般化学式I或其药用可接受盐的氨基-杂环芳基衍生物，以及包含这些衍生物的药物组合物，以及利用这些衍生物治疗疼痛，如神经病性疼痛或炎症性疼痛。