6-(4-氯-2-甲基苯氧基)吡啶-3-胺 | 219865-94-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 6-(4-氯-2-甲基苯氧基)吡啶-3-胺
• 英文名称: 2-(4-Chloro-2-methyl-phenoxy)-5-amino-pyridine
• 英文别名: 6-(2-methyl-4-chlorophenoxy)pyridin-3-amine；6-(4-Chloro-2-methylphenoxy)pyridin-3-amine
• CAS: 219865-94-8
• 化学式: C₁₂H₁₁ClN₂O
• mdl: MFCD00052798
• 分子量: 234.685
• InChiKey: DVXVRGGVIMNANI-UHFFFAOYSA-N

物化性质

• 沸点：
  398.4±42.0 °C(Predicted)
• 密度：
  1.277±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.083
• 拓扑面积：
  48.1
• 氢给体数：
  1
• 氢受体数：
  3

SDS

Name:	6-(4-Chloro-2-methylphenoxy)pyridin-3-amine Material Safety Data Sheet
Synonym:
CAS:	219865-94-8

Section 1 - Chemical Product MSDS Name:6-(4-Chloro-2-methylphenoxy)pyridin-3-amine Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
219865-94-8	6-(4-Chloro-2-methylphenoxy)pyridin-3-	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:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: 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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. 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:

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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.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 219865-94-8: Personal Protective Equipment Eyes: Not available.
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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 81 - 83 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: C12H11ClN2O
Molecular Weight: 234.69

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Acids (mineral, non-oxidizing, e.g. hydrochloric acid, hydrofluoric acid, muriatic acid, phosphoric acid), acids (mineral, oxidizing, e.g. chromic acid, hypochlorous acid, nitric acid, sulfuric acid), acids (organic, e.g. acetic acid, benzoic acid, formic acid, methanoic acid, oxalic acid), caustics (e.g. ammonia, ammonium hydroxide, calcium hydroxide, potassium hydroxide, sodium hydroxide), metals (alkali and alkaline, e.g. cesium, potassium, sodium), metals and metal compounds (toxic, e.g. beryllium, lead acetate, nickel carbonyl, tetraethyl lead), nitrides (e.g. potassium nitride, sodium nitride), peroxides and hydroperoxides (organic, e.g.
acetyl peroxide, benzoyl peroxide, butyl peroxide, methyl ethyl ketone peroxide), oxidizing agents (strong, e.g. bromine, hydrogen peroxide, nitrogen dioxide, potassium nitrate), reducing agents (strong, e.g. aluminum carbide, chlorosilane, hydrogen phosphide, lithium hydride), water reactive substances (e.g. acetic anyhdride, alkyl aluminum chloride, calcium carbide, ethyl dichlorosilane), oxidizing materials.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Not available.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 219865-94-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-(4-Chloro-2-methylphenoxy)pyridin-3-amine - 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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 219865-94-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 219865-94-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 219865-94-8 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：

  6-(4-氯-2-甲基苯氧基)吡啶-3-胺 、 四丁基溴化铵 在 sodium hydroxide 、 potassium carbonate 、 硫酸二甲酯 作用下， 以 乙酸乙酯 、 甲苯 为溶剂， 生成 2-(4-Chloro-2-methyl-phenoxy)-5-(N-methylamino)pyridine
  参考文献：
  名称：

  Substituted pyridine compounds and methods of use

  摘要：

  选定的新型取代吡啶化合物对于预防和治疗疾病，如TNF-α、IL-1β、IL-6和/或IL-8介导的疾病，以及其他疾病，如疼痛和糖尿病，具有有效性。该发明涵盖了新型化合物、类似物、前药和其药学上可接受的盐，用于预防和治疗涉及炎症、疼痛、糖尿病、癌症等疾病和其他疾病或病况的药物组合物和方法。该发明还涉及制备此类化合物的方法，以及在此类方法中有用的中间体。

  公开号：

  US06022884A1
• 作为产物：
  描述：

  2-(4-chloro-2-methylphenoxy)-5-nitropyridine 在 palladium dihydroxide 作用下， 以 乙醇 为溶剂， 生成 6-(4-氯-2-甲基苯氧基)吡啶-3-胺
  参考文献：
  名称：

  Substituted pyridine compounds and methods of use

  摘要：

  选定的新型取代吡啶化合物对于预防和治疗疾病，如TNF-α、IL-1β、IL-6和/或IL-8介导的疾病，以及其他疾病，如疼痛和糖尿病，具有有效性。该发明涵盖了新型化合物、类似物、前药和其药学上可接受的盐，用于预防和治疗涉及炎症、疼痛、糖尿病、癌症等疾病和其他疾病或病况的药物组合物和方法。该发明还涉及制备此类化合物的方法，以及在此类方法中有用的中间体。

  公开号：

  US06022884A1

文献信息

• Therapeutic compounds
  申请人：——

  公开号：US20030149024A1

  公开（公告）日：2003-08-07

  The present invention provides compounds of Formula I: 1 wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 have any of the values defined in the specification, as well as pharmaceutical compositions comprising the compounds. The invention also provides therapeutic methods as well as processes and intermediates useful for preparing compounds of Formula I.

  本发明提供了公式I的化合物：1其中X，R1，R2，R3，R4，R5和R6具有规范中定义的任何值，以及包含该化合物的制药组合物。该发明还提供了治疗方法以及用于制备公式I化合物的过程和中间体。
• US06184237B2
  申请人：——

  公开号：——

  公开（公告）日：——
• SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS
  申请人：AMGEN INC.

  公开号：EP1028945B9

  公开（公告）日：2007-11-28
• BENZAZEPINE DERIVATIVES AND THEIR USE AS 5-HT LIGANDS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1451176A2

  公开（公告）日：2004-09-01
• US6022884A
  申请人：——

  公开号：US6022884A

  公开（公告）日：2000-02-08