6-甲基-3-氨基-2-氯吡啶 | 39745-40-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 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: 6-甲基-3-氨基-2-氯吡啶
• 中文别名: 2-氯-3-氨基-6-甲基吡啶；2-氯-3-胺基-6-甲基吡啶；2-氯-6-甲基吡啶-3-胺；5-氨基-6-氯-2-甲基吡啶；3-氨基-2-氯-6-甲基吡啶
• 英文名称: 2-chloro-6-methylpyridin-3-amine
• 英文别名: 2-chloro-3-amino-6-methylpyridine；2-Chlor-3-amino-6-methyl-pyridin；2-chloro-6-methyl-3-aminopyridine；3-Amino-2-chloro-6-picoline
• CAS: 39745-40-9
• 化学式: C₆H₇ClN₂
• mdl: MFCD03095213
• 分子量: 142.588
• InChiKey: SUMSBUDMYMYTLL-UHFFFAOYSA-N

物化性质

• 熔点：
  88-91 °C
• 沸点：
  232.49°C (rough estimate)
• 密度：
  1.2124 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 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：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  6.1
• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,Xi
• 安全说明：
  S26,S36/37/39
• 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+H312+H332,H315,H319,H335
• 储存条件：
  存于阴凉干燥处

SDS

Name:	5-Amino-6-Chloro-2-Picoline Material Safety Data Sheet
Synonym:	None Known
CAS:	39745-40-9

Section 1 - Chemical Product MSDS Name:5-Amino-6-Chloro-2-Picoline Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
39745-40-9	5-Amino-6-Chloro-2-Picoline	ca. 100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Do NOT use mouth-to-mouth resuscitation.
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# 39745-40-9: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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: C6H7ClN2
Molecular Weight: 142.5

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, strong acids.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 39745-40-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Amino-6-Chloro-2-Picoline - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 39745-40-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 39745-40-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 39745-40-9 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-甲基-3-氨基-2-氯吡啶 在 sodium hydrogensulfite 、 copper(II) sulfate 、 potassium bromide 、 copper(I) bromide 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 0.67h， 生成 2-氯-3-溴-6-甲基吡啶氮氧化物
  参考文献：
  名称：

  3-bromo-2-chloro-6-picolinic N-氧化物新型钕配合物的分子结构和光谱特性显示配体到金属的能量转移

  摘要：

  摘要 合成了一种新型钕[Nd(BCPN)3(NO3)3(H2O)2]与3-溴-2-氯-6-吡啶甲酸N-氧化物的配合物，并通过光谱研究和DFT量子化学计算对其进行了表征。进行了红外、拉曼、电子紫外-可见光和发射光谱测量。飞秒激发用于建立激发能级减少机制。讨论了卤基位置对所研究化合物的结构和光学性质的影响。分析了所研究的钕络合物中的配体到金属的能量转移。

  DOI：

  10.1016/j.molstruc.2020.128967
• 作为产物：
  描述：

  2-氯-3-硝基-6-甲基吡啶 在 hydrazine hydrate 、 nickel/aluminium alloy 作用下， 以 乙醇 为溶剂， 反应 0.67h， 生成 6-甲基-3-氨基-2-氯吡啶
  参考文献：
  名称：

  3-bromo-2-chloro-6-picolinic N-氧化物新型钕配合物的分子结构和光谱特性显示配体到金属的能量转移

  摘要：

  摘要 合成了一种新型钕[Nd(BCPN)3(NO3)3(H2O)2]与3-溴-2-氯-6-吡啶甲酸N-氧化物的配合物，并通过光谱研究和DFT量子化学计算对其进行了表征。进行了红外、拉曼、电子紫外-可见光和发射光谱测量。飞秒激发用于建立激发能级减少机制。讨论了卤基位置对所研究化合物的结构和光学性质的影响。分析了所研究的钕络合物中的配体到金属的能量转移。

  DOI：

  10.1016/j.molstruc.2020.128967

文献信息

• [EN] THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE<br/>[FR] DÉRIVÉS DE THIOPHÈNE POUR LE TRAITEMENT DE TROUBLES PROVOQUÉS PAR IGE
  申请人：UCB BIOPHARMA SRL

  公开号：WO2019243550A1

  公开（公告）日：2019-12-26

  Thiophene derivatives of formula (I) and a pharmaceutically acceptable salt thereof are provided. These compounds have utility for the treatment or prevention of disorders caused by IgE, such as allergy, type 1 hypersensitivity or familiar sinus inflammation.

  提供了公式（I）的噻吩衍生物及其药用可接受的盐。这些化合物对于治疗或预防由IgE引起的疾病具有用途，如过敏、1型超敏反应或家族性鼻窦炎。
• Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase
  申请人：Forum Pharmaceuticals, Inc.

  公开号：US20170000749A1

  公开（公告）日：2017-01-05

  This disclosure relates to compounds for the inhibition of histone deacetylase and treatment of a cognitive disorder or deficit. More particularly, the disclosure provides for compounds of formula (I) wherein Q, J, L and Z are as defined in the specification.

  这份披露涉及用于抑制组蛋白去乙酰化酶和治疗认知障碍或缺陷的化合物。更具体地，该披露提供了公式（I）的化合物 其中 Q、J、L和Z如规范中所定义。
• Mild and Highly Selective Palladium-Catalyzed Monoarylation of Ammonia Enabled by the Use of Bulky Biarylphosphine Ligands and Palladacycle Precatalysts
  作者：Chi Wai Cheung、David S. Surry、Stephen L. Buchwald

  DOI：10.1021/ol401612c

  日期：2013.7.19

  A method for the Pd-catalyzed arylation of ammonia with a wide range of aryl and heteroaryl halides, including challenging five-membered heterocyclic substrates, is described. Excellent selectivity for monoarylation of ammonia to primary arylamines was achieved under mild conditions or at rt by the use of bulky biarylphosphine ligands (L6, L7, and L4) as well as their corresponding aminobiphenyl palladacycle

  描述了一种 Pd 催化的氨与多种芳基和杂芳基卤化物的芳基化方法，包括具有挑战性的五元杂环底物。通过使用庞大的联芳膦配体（L6、L7和L4）及其相应的氨基联苯钯环预催化剂（3a、3b和3c），在温和条件下或在室温下实现了将氨单芳基化成伯芳胺的出色选择性。由于该过程既不需要使用手套箱，也不需要高压氨，因此应广泛适用。
• [EN] DIHYDROOROTATE DEHYDROGENASE INHIBITORS<br/>[FR] INHIBITEURS DE DIHYDROOROTATE DÉSHYDROGÉNASE
  申请人：JANSSEN BIOTECH INC

  公开号：WO2020144638A1

  公开（公告）日：2020-07-16

  Disclosed are compounds, compositions and methods for treating diseases, disorders, or medical conditions that are affected by the modulation of DHODH. Such compounds are represented by Formula (I) as follows: wherein R1a, R1b, R2, and R3, are defined herein.

  揭示了一种通过调节DHODH来治疗受影响的疾病、疾病或医疗状况的化合物、组合物和方法。这些化合物由以下式（I）表示：其中R1a、R1b、R2和R3在此处定义。
• [EN] LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DES RÉCEPTEURS D'ACIDE LYSOPHOSPHATIDIQUE
  申请人：INTERMUNE INC

  公开号：WO2013025733A1

  公开（公告）日：2013-02-21

  Compounds, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds to treat, prevent or diagnose diseases, disorders, or conditions associated with one or more of the lysophosphatidic acid receptors are provided.

  提供了化合物、制备这种化合物的方法、包含这种化合物的药物组合物和药物，以及使用这种化合物治疗、预防或诊断与一种或多种赖氨酸磷脂酸受体相关的疾病、紊乱或状况的方法。