2-氯-6-甲氧基异烟酰氯 | 116853-97-5

• 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: 2-氯-6-甲氧基异烟酰氯
• 中文别名: 2-氯-6-甲氧基吡啶-4-甲酰氯
• 英文名称: 2-chloro-6-methoxypyridin-4-carbonic acid chloride
• 英文别名: 2-chloro-6-methoxyisonicotinoyl chloride；2-Chloro-6-methoxypyridine-4-carbonyl chloride
• CAS: 116853-97-5
• 化学式: C₇H₅Cl₂NO₂
• mdl: MFCD00125355
• 分子量: 206.028
• InChiKey: RITCMXVSFUDYGY-UHFFFAOYSA-N

物化性质

• 熔点：
  60°C
• 沸点：
  60°C 0,07mm
• 闪点：
  79°C/0.2mm
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也不存在已知的危险反应。 应避免与氧化物、水分等接触。

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• 危险品运输编号：
  3265
• 海关编码：
  2933399090
• 包装等级：
  II
• 危险类别：
  8

SDS

Name:	2-Chloro-6-methoxypyridine-4-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:
CAS:	116853-97-5

Section 1 - Chemical Product MSDS Name:2-Chloro-6-methoxypyridine-4-carbonyl chloride 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
116853-97-5	2-Chloro-6-methoxypyridine-4-carbonyl	95+%	unlisted

Hazard Symbols: C
Risk Phrases: 34

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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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.

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Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area. Store under nitrogen.

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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# 116853-97-5: 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: Liquid
Color: colorless
Odor: pungent odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 63 - 64 deg C @0.01mmHg
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: C7H5Cl2NO2
Molecular Weight: 206

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents, reducing agents, bases, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 116853-97-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-methoxypyridine-4-carbonyl chloride - 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: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3265
Packing Group: III
IMO
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3265
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
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# 116853-97-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 116853-97-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 116853-97-5 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

制备方法与用途

应用

2-氯-6-甲氧基异烟酰氯可用作医药合成中间体，并可通过2-氯-6-甲氧基吡啶-4-羧酸与氯化亚砜反应制备，进而用于生产2-氯-6-甲氧基吡啶-4-羧酸叔丁酯。

制备

2-氯-6-甲氧基异烟酰氯的制备步骤如下：

向含有40毫升氯化亚砜的反应瓶中加入3.96克2-氯-6-甲氧基吡啶-4-羧酸，加热回流2小时。随后，在真空条件下蒸发掉过量的氯化亚砜，并用二氯甲烷对残余物进行两次蒸发处理，最终得到几乎无色的油状产物（总质量为4.17克）。

反应信息

• 作为反应物：
  描述：

  2-氯-6-甲氧基异烟酰氯 、 4-氟苯磺酰胺 在 盐酸 作用下， 以 吡啶 为溶剂， 以61%的产率得到N-(4-fluorophenylsulfonyl)-2-chloro-6-methoxyisonicotinamide
  参考文献：
  名称：

  N-phenylsulfonylisonicotinamide derivatives and their use as fungicides

  摘要：

  一种化合物的公式：##STR1## 其中X是卤素、较低的烷氧基、较低的烷基硫基、硝基或甲基，Y是氢或氯，R是氢、较低的烷基或烯丙基，Z是氢、较低的烷基卤素、硝基、甲氧基、甲基硫基、甲基磺酰基、--CF.sub.3、苯基、苯氧基或较低的烷氧羰基，n是1-3的整数，它们用作杀真菌剂或杀菌剂。

  公开号：

  US04690934A1

文献信息

• Benzothiazoles
  申请人：——

  公开号：US20030144288A1

  公开（公告）日：2003-07-31

  The present invention relates to compounds of the formula 1 wherein R1 and R2 are as described within. The compounds of formula I have been found to be adenosine receptor ligands. Specifically, the compounds of the present invention have a good affinity to the A 2A -receptor and they may be used in the treatment of diseases, related to this receptor.

  本发明涉及公式1中的化合物，其中R1和R2如所述。公式I的化合物被发现是腺苷受体配体。具体而言，本发明的化合物对A2A受体具有良好的亲和力，可用于治疗与该受体相关的疾病。
• Diarylsulfone sulfonamides and use thereof
  申请人：Gopalsamy Ariamala

  公开号：US20060276464A1

  公开（公告）日：2006-12-07

  Compounds of Formula 1, or pharmaceutically acceptable salts thereof, are provided: which are modulators of secreted frizzled related protein-1. The compounds, and compositions containing the compounds, can be used to treat a variety of disorders, including osteoporosis.

  提供公式1的化合物或其药用可接受盐：它们是分泌的毛细胞突变相关蛋白-1的调节剂。这些化合物和含有这些化合物的组合物可用于治疗多种疾病，包括骨质疏松症。
• [EN] QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF<br/>[FR] COMPOSÉS QUINOLÉINE, LEUR PROCÉDÉ DE PRÉPARATION ET UTILISATION ASSOCIÉE<br/>[ZH] 喹啉类化合物、其制备方法和用途
  申请人：SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE TECH CO LTD

  公开号：WO2021057190A1

  公开（公告）日：2021-04-01

  涉及喹啉类化合物、其制备方法和用途。具体地，提供了一类新型喹啉类化合物，及其药学上可接受的盐、制备方法和其在制备治疗结核杆菌感染性疾病、特别是耐药结核杆菌引起的感染性疾病的药物中的用途。喹啉类化合物或其药学上可接受的盐，具有很好的抗结核杆菌活性，特别是对耐药结核杆菌具有很强的活性。
• WO2008/60568
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO<br/>[FR] MODULATEURS DU RÉCEPTEUR SPHINGOSINE-1-PHOSPHATE (S1P) UTILES POUR LE TRAITEMENT DE TROUBLES ASSOCIÉS À CEUX-CI
  申请人：ARENA PHARM INC

  公开号：WO2011005295A8

  公开（公告）日：2012-09-20