2-甲氨基-5-(三氟甲苯)-1,3,4-硫代二吡咯 | 25366-22-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-甲氨基-5-(三氟甲苯)-1,3,4-硫代二吡咯
• 中文别名: 2-甲基氨-5-(三氟甲基)-1,3,4-噻二唑；N2-甲基-5-(三氟甲基)-1,3,4-噻二唑-2-胺
• 英文名称: N-methyl-5-(trifluoromethyl)-1 3,4-thiadiazol-2-amine
• 英文别名: N-methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine；2-methylamino-5-(trifluoromethyl)-1,3,4-thiadiazole；methyl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine；2-methylamino-5-trifluoromethyl-1,3,4-thiadiazole
• CAS: 25366-22-7
• 化学式: C₄H₄F₃N₃S
• 分子量: 183.157
• InChiKey: ARAFQFMXQDBEPU-UHFFFAOYSA-N

物化性质

• 熔点：
  115 °C
• 溶解度：
  20.5 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934999090
• 安全说明：
  S26,S36

SDS

Name:	N2-Methyl-5-(trifluoromethyl)-1 3 4-thiadiazol-2-amine 97% Material Safety Data Sheet
Synonym:	3-Methylamino-5-trifluoromethyl-1,2,4-thiadiazol
CAS:	25366-22-7

Section 1 - Chemical Product MSDS Name:N2-Methyl-5-(trifluoromethyl)-1 3 4-thiadiazol-2-amine 97% Material Safety Data Sheet
Synonym:3-Methylamino-5-trifluoromethyl-1,2,4-thiadiazol

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
25366-22-7	N2-Methyl-5-(trifluoromethyl)-1,3,4-th	97%	unlisted

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

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
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 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.

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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:
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# 25366-22-7: 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: Solid
Color: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 115 - 117 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: C4H4F3N3S
Molecular Weight: 183

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 25366-22-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N2-Methyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-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
No information available.
IMO
No information available.
RID/ADR
No information available.

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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# 25366-22-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 25366-22-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 25366-22-7 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-甲氨基-5-(三氟甲苯)-1,3,4-硫代二吡咯 生成 1,1,3-Trimethyl-3-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-urea
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED PYRAZOLE AND PYRROLE COMPOUNDS AND METHODS FOR USING THEM FOR INHIBITION OF INITIATION OF TRANSLATION AND TREATMENT OF DISEASES AND DISORDERS RELATING THERETO<br/>[FR] COMPOSÉS PYRAZOLE ET PYRROLE SUBSTITUÉS ET PROCÉDÉS D'UTILISATION DE CES DERNIERS POUR L'INHIBITION DE L'INITIATION DE LA TRADUCTION ET LE TRAITEMENT DE MALADIES ET DE TROUBLES ASSOCIÉS À CETTE DERNIÈRE
  申请人：BANTAM PHARMACEUTICAL LLC

  公开号：WO2016196644A1

  公开（公告）日：2016-12-08

  Disclosed are pyrazole compounds, as well as pharmaceutical compositions and methods of use thereof. One embodiment is a compound having the structure (I) and pharmaceutically acceptable salts and /V-oxides thereof, wherein X1, X2, Z1, Z2, the ring system denoted by "a", R1, A1A, L1B, A1B, L1A, L2, Q, L3, R3, A4A, L4B, A4B, L4A, R4, L5, and R5 are as described herein. In certain embodiments, compounds disclosed herein disrupt the elF4E/eiF4G interaction, and can be used to treat hyperproliferative disorder, a neurological disease or disorder, or autism.

  揭示了吡唑化合物，以及其药物组合物和使用方法。其中一种实施例是具有结构（I）及其药用可接受的盐和/或氧化物，其中X1、X2、Z1、Z2、由“a”表示的环系统、R1、A1A、L1B、A1B、L1A、L2、Q、L3、R3、A4A、L4B、A4B、L4A、R4、L5和R5如本文所述。在某些实施例中，本文所披露的化合物破坏elF4E/eiF4G相互作用，并可用于治疗过度增殖性疾病、神经系统疾病或障碍，或自闭症。
• [EN] PESTICIDALLY ACTIVE AMIDE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS<br/>[FR] DÉRIVÉS AMIDE HÉTÉROCYCLIQUES ACTIFS À ACTION PESTICIDE COMPORTANT DES SUBSTITUANTS CONTENANT DU SOUFRE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016087265A1

  公开（公告）日：2016-06-09

  Compounds of formula (I), wherein the substituents are as defined in claim 1, and the agrochemically acceptable salts, stereoisomers, enantiomers, tautomers and N-oxides of those compounds, can be used as insecticides and can be prepared in a manner known per se.

  式（I）的化合物，其中取代基如权利要求书中定义的那样，以及这些化合物的农药可接受的盐、立体异构体、对映异构体、互变异构体和N-氧化物，可以用作杀虫剂，并且可以按照已知的方法制备。
• [EN] PESTICIDALLY ACTIVE AMIDE DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS<br/>[FR] DÉRIVÉS D'AMIDE PESTICIDEMENT ACTIFS COMPORTANT DES SUBSTITUANTS CONTENANT DU SOUFRE
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2015117912A1

  公开（公告）日：2015-08-13

  Compounds of formula (I), wherein (II) is a five-membered, aromatic ring system which may contain 2 or 3 heteroatoms selected from the group consisting of nitrogen, oxygen and sulphur,and where each ring system may not contain more than one oxygen atom and not more than one sulfur atom; and wherein the substituents are as defined in claim 1, and the agrochemically acceptable salts and all stereoisomers and tautomeric forms of the compounds of formula I can be used as insecticides and can be prepared in a manner known per se.

  式(I)的化合物，其中(II)是一个含有2或3个异原子（选自氮、氧和硫）的五元芳香环系统，每个环系统中不得含有多于一个氧原子和一个硫原子；取代基如权利要求1所定义的那样，并且符合农药标准的盐以及化合物I的所有立体异构体和互变异构体形式可以用作杀虫剂，并且可以按已知的方式制备。
• 一种噻氟隆原药的制备方法
  申请人：河北工业大学

  公开号：CN109053634A

  公开（公告）日：2018-12-21

  本发明为一种噻氟隆原药的制备方法。该方法包括以下步骤：像2‑甲基氨‑(5‑三氟甲基)‑1,3,4‑噻二唑溶液中滴加N‑甲氨基甲酰氯溶液，然后滴加有机碱后者通入氮气，然后经历升温和降温反应后，再加入水，反应后过滤、烘干，得到白色固体噻氟隆。本发明避开了使用易燃易爆，且不易运输的异氰酸甲酯的使用，无需重结晶就能得到高产率，高纯度的产品。
• アミド化合物及び有害生物防除剤
  申请人：日産化学工業株式会社

  公开号：JP2018024660A

  公开（公告）日：2018-02-15

  【課題】優れた有害生物防除活性を示し、ホ乳動物、魚類及び益虫等の非標的生物に対してほとんど悪影響が無いなどの低毒性で、且つ低残留性の新規な有害生物防除剤の提供。【解決手段】式（１）で表されるアミド化合物若しくはその塩又はそれらのＮ−オキシド。前記化合物を有効成分として含有する有害生物防除剤。［Ｒ１はＣ１〜Ｃ６アルキル等；Ｒ２はＨ、Ｃ１〜Ｃ６アルキル等；ＧはＧ１〜Ｇ６で表される構造；Ｙ２〜Ｙ４は、各々独立してＨ、ハロゲン、ハロ（Ｃ１〜Ｃ６）アルキル等；Ｘ１〜Ｘ４及びＸ６は、各々独立してハロ（Ｃ１〜Ｃ６）アルキル等；Ｘ６はハロゲン等；ｎは０〜２の整数］【選択図】なし

  【问题】提供一种具有优良的有害生物防治活性，对哺乳动物、鱼类和益虫等非目标生物影响较小，低毒性且低残留的新型有害生物防治剂。 【解决方案】表示为式（1）的酰胺化合物或其盐或它们的N-氧化物。包含该化合物作为有效成分的有害生物防治剂。[R1是C1〜C6烷基等；R2是H，C1〜C6烷基等；G表示由G1〜G6表示的结构；Y2〜Y4各自独立地是H，卤素，卤（C1〜C6）烷基等；X1〜X4和X6各自独立地是卤（C1〜C6）烷基等；X6是卤素等；n是0〜2的整数]【选择图】无