2-甲基-6-三氟甲基吡啶-3-羧酸 | 261635-93-2

• 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-甲基-6-三氟甲基吡啶-3-羧酸
• 中文别名: 2-甲基-6-(三氟甲基)吡啶-3-甲酸；2-甲基-6-三氟甲基烟酸
• 英文名称: 2-methyl-6-(trifluoromethyl)nicotinic acid
• 英文别名: 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
• CAS: 261635-93-2
• 化学式: C₈H₆F₃NO₂
• mdl: MFCD01311990
• 分子量: 205.136
• InChiKey: ODWJFUQRQUCRJZ-UHFFFAOYSA-N

物化性质

• 熔点：
  139-141℃
• 沸点：
  253.0±40.0℃ (760 Torr)
• 密度：
  1.414±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  106.8±27.3℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  C
• 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,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温，惰性气氛

SDS

Name:	2-Methyl-6-(trifluoromethyl)nicotinic acid Material Safety Data Sheet
Synonym:	None known
CAS:	261635-93-2

Section 1 - Chemical Product MSDS Name:2-Methyl-6-(trifluoromethyl)nicotinic acid Material Safety Data Sheet
Synonym:None known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
261635-93-2	2-Methyl-6-(trifluoromethyl)nicotinic	TECH	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 gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Get medical aid. Immediately flush eyes with plenty of water for at least 15 minutes.
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 appropriate 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 contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Container should be opened by a technically qualified person. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 261635-93-2: 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 and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 132 - 137.5 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: C8H6F3NO2
Molecular Weight: 205.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
High temperatures, incompatible materials, dust generation.
Incompatibilities with Other Materials:
Amines, strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 261635-93-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Methyl-6-(trifluoromethyl)nicotinic acid - 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# 261635-93-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 261635-93-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 261635-93-2 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-甲基-6-三氟甲基吡啶-3-羧酸 在 氯化亚砜 、 叔丁胺 、 三乙胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 生成 2-甲基-N-(2-甲基-2-丙基)-6-(三氟甲基)烟酰胺
  参考文献：
  名称：

  Method of inhibiting angiogenesis

  摘要：

  具有以下化学式的化合物是抑制血管生成的抑制剂。还公开了含有这些化合物的组合物、制备这些化合物的方法以及使用这些化合物进行治疗的方法。

  公开号：

  US20040116479A1
• 作为产物：
  描述：

  在 吡啶 、 水 、 溴 、 palladium diacetate 、 三苯基膦 、 sodium hydroxide 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 36.5h， 生成 2-甲基-6-三氟甲基吡啶-3-羧酸
  参考文献：
  名称：

  Method for preparation of 6-trifluoromethylpyridine-3-carboxylic acid derivatives from 4,4,4-trifluoro-3-aminobutanoates

  摘要：

  该发明公开了一种从4,4,4-三氟-3-氨基丁酸酯出发，经烯胺和二氢吡啶酮制备取代的6-三氟甲基吡啶-3-羧酸衍生物的方法。

  公开号：

  EP2821398A1

文献信息

• Vanilloid receptor ligands and their use in treatments
  申请人：——

  公开号：US20030195201A1

  公开（公告）日：2003-10-16

  Compounds having the general structure 1 and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构1的化合物以及含有它们的组合物，用于治疗急性疼痛、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、丛集性头痛、混合性血管和非血管综合症、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎症性肠病、炎症性眼病、炎症性或不稳定的膀胱病、银屑病、具有炎症成分的皮肤疾病、慢性炎症状况、炎症性疼痛及其相关的过度疼痛和异常疼痛、神经性疼痛及其相关的过度疼痛和异常疼痛、糖尿病性神经病疼痛、灼痛、交感神经维持的疼痛、去神经综合症、哮喘、上皮组织损伤或功能障碍、单纯疱疹、在呼吸、生殖泌尿、胃肠或血管区域的内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠病、胃溃疡、十二指肠溃疡、腹泻、由坏死性剂引起的胃部病变、毛发生长、血管运动性或过敏性鼻炎、支气管障碍或膀胱障碍。
• Substituted pyridines having antiangiogenic activity
  申请人：——

  公开号：US20040014744A1

  公开（公告）日：2004-01-22

  Compounds having the formula 1 are angiogenesis inhibitors. Also disclosed are compositions containing the compounds, methods of making the compounds, and methods of treatment using the compounds.

  具有以下化学式的化合物是抑制血管生成的抑制剂。还公开了含有这些化合物的组合物、制备这些化合物的方法以及使用这些化合物进行治疗的方法。
• [EN] CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS<br/>[FR] CARBOXAMIDES UTILISÉS EN TANT QUE MODULATEURS DE CANAUX SODIQUES
  申请人：VERTEX PHARMA

  公开号：WO2020146682A1

  公开（公告）日：2020-07-16

  Compounds, and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.

  提供了一种用作钠通道抑制剂的化合物，以及它们的药物可接受的盐。还提供了包含这些化合物或药物可接受的盐的药物组合物，以及使用这些化合物、药物可接受的盐和药物组合物治疗各种疾病，包括疼痛的方法。
• Herbicidal composition
  申请人：——

  公开号：US20040106519A1

  公开（公告）日：2004-06-03

  A herbicidal composition that, in addition to comprising customary inert formulation adjuvants, comprises a) a compound of formula I 1 wherein the substituents are as defined in claim 1, and b) a synergistically effective amount of one or more compounds of formulae 2.1 to 2.51. The compositions according to the invention may also comprise a safener.

  一种除草剂组合物，除了包括惯常的惰性配方助剂外，还包括 a) 公式I的化合物 其中取代基如权利要求1中定义的那样，以及b) 一种或多种公式2.1至2.51的化合物的协同有效量。根据本发明的组合物还可以包括一种安全剂。
• Substituted pyridine herbicides
  申请人：——

  公开号：US20030040437A1

  公开（公告）日：2003-02-27

  1 Compounds of formula (I), in which the substituents are as defined in claim 1 and the agrochemically tolerated salts M+ and all stereoisomers and tautomers of the compounds of formula (I) are suitable for use as herbicides.

  式（I）化合物，其中取代基如权利要求1中定义的那样，以及农药中可容忍的盐M+和式（I）化合物的所有立体异构体和互变异构体均适用于用作除草剂。