3-三氟甲氧基苯肼(HCL) | 133115-55-6

• 物质功能分类: 化学试剂 - 有机试剂 - 肼
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-三氟甲氧基苯肼(HCL)
• 中文别名: 3-三氟甲氧基苯肼HC；3-三氟甲氧基-苯肼盐酸盐；3-(三氟甲氧基)苯肼盐酸盐
• 英文名称: 3-(trifluoromethoxy)phenylhydrazine hydrochloride
• 英文别名: (3-(Trifluoromethoxy)phenyl)hydrazine hydrochloride；[3-(trifluoromethoxy)phenyl]hydrazine;hydrochloride
• CAS: 133115-55-6
• 化学式: C₇H₇F₃N₂O*ClH
• 分子量: 228.602
• InChiKey: ZXDHJICZICMRLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  47.3
• 氢给体数：
  3
• 氢受体数：
  6

安全信息

• 安全说明：
  S26
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2928000090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (3-(Trifluoromethoxy)phenyl)hydrazine hydrochloride
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: (3-(Trifluoromethoxy)phenyl)hydrazine hydrochloride
CAS number: 133115-55-6

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C7H7F3N2O.ClH
Molecular weight: 228.6

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, hydrogen fluoride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-三氟甲氧基苯肼(HCL) 、 3-氨基巴豆腈 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 生成 5-methyl-2-(3-trifluoromethoxy-phenyl)-2H-pyrazol-3-ylamine
  参考文献：
  名称：

  SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE

  摘要：

  本发明提供了式（I）的化合物 其中R 1 ，R 2 ，R 3 和R 4 具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由CFTR介导和调节的疾病和症状中是有用的，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一个或多个式（I）的化合物组成的药物组合物。

  公开号：

  US20170101406A1
• 作为产物：
  描述：

  3-三氟甲氧基苯胺 在 盐酸 、 tin(ll) chloride 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 2.0h， 以2.72 g的产率得到3-三氟甲氧基苯肼(HCL)
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  本发明提供了一种由以下式（1）表示的化合物： 其中每个符号如规范中定义，或其盐，该化合物的前药或其盐，含有该化合物或其盐的药物，该药物是磷酸二酯酶10A抑制剂，以及用于预防或治疗精神分裂症的药物。

  公开号：

  US20130150344A1

文献信息

• [EN] N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE<br/>[FR] PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES N-SULFONYLÉS ET LEUR PROCÉDÉ D'UTILISATION
  申请人：ABBVIE S Á R L

  公开号：WO2017060874A1

  公开（公告）日：2017-04-13

  The present invention provides for compounds of formula (I) wherein R1, R2, R3, R4, R5, and R6 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sjögren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了一种具有以下结构的化合物（I），其中R1、R2、R3、R4、R5和R6具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由CFTR介导和调节的疾病和症状中是有用的，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一个或多个具有结构（I）的化合物组成的药物组合物。
• Trifluoromethoxy substituted
  申请人：American Home Products Corporation

  公开号：US04960902A1

  公开（公告）日：1990-10-02

  Indole derivatives characterized by having a 1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetic acid nucleus bearing a trifluoromethoxy substituent in the 5-, 6-, 7-, or 8-position, and methods for their preparation and use, are disclosed. The derivatives are useful anti-inflammatory and analgesic agents.

  具有1,3,4,9-四氢吡喃并[3,4-b]吲哚-1-乙酸核带有5、6、7或8位三氟甲氧基取代基的吲哚衍生物，以及它们的制备和使用方法已被披露。这些衍生物是有用的抗炎和镇痛剂。
• [EN] SUBSTITUTED PYRAZOLES FFA4/GPR120 RECEPTOR AGONISTS<br/>[FR] PYRAZOLES SUBSTITUÉS AGONISTES DU RÉCEPTEUR FFA4/GPR120
  申请人：AXXAM SPA

  公开号：WO2019175152A1

  公开（公告）日：2019-09-19

  The present invention refers to compounds of formula (I) or a pharmaceutically acceptable salt thereof: Formula (I). These compounds have FFA4/GPR120 receptor (FFA4) agonistic properties. The invention refers also to pharmaceutical compositions comprising these compounds, chemical processes for preparing them and their use in the treatment or prophylaxis of diseases associated with FFA4 receptor activity in animals, in particular humans.

  本发明涉及式(I)的化合物或其药学上可接受的盐：式(I)。这些化合物具有FFA4/GPR120受体（FFA4）激动性特性。该发明还涉及包含这些化合物的药物组合物，用于制备它们的化学过程以及它们在治疗或预防与动物（特别是人类）FFA4受体活性相关的疾病中的用途。
• 5-aminopyrazoles useful as tyrosine kinase inhibitors
  申请人：Celltech Therapeutics Ltd.

  公开号：US05922741A1

  公开（公告）日：1999-07-13

  Compounds of general formula (1) are described: ##STR1## wherein Ar is an optionally substituted aromatic or heteroaromatic group; X.sup.1 is an oxygen or sulphur atom; R.sup.1 is a hydrogen atom or a methyl group; R.sup.2 is a hydrogen atom or a group --Alk.sup.1 or --X.sup.2 Alk.sup.1 where Alk.sup.1 is an optionally substituted aliphatic or heteroaliphatic group and X.sup.2 is a --C(O)--, --C(S)--, or --S(O).sub.n group where n is an integer 1 or 2; R.sup.3 is a hydrogen atom or a group --Alk.sup.2, \x9bwhere Alk.sup.2 is as defined for Alk.sup.1 !, --X.sup.2 Alk.sup.2, --Ar.sup.1 \x9bwhere Ar.sup.1 is an optionally substituted aromatic or heteroaromatic group!, --Alk.sup.2 Ar.sup.1, or --X.sup.2 Alk.sup.2 Ar.sup.1 ; and the salts, solvates, hydrates and N-oxides thereof. The compounds are selective inhibitors of the protein tyrosine kinase p56.sup.lck and are of use in the prophylaxis and treatment of immune diseases, hyperproliferative disorders and other diseases in which inappropriate p56.sup.lck activity is believed to have a role.

  通式（1）描述了以下化合物：其中Ar是一个可选择取代的芳香或杂环芳基；X1是氧或硫原子；R1是氢原子或甲基基团；R2是氢原子或基团-Alk1或-X2Alk1，其中Alk1是一个可选择取代的脂肪或杂原子脂肪基团，X2是一个-C(O)-、-C(S)-或-S(O)n基团，其中n是整数1或2；R3是氢原子或基团-Alk2，其中Alk2如Alk1所定义！，-X2Alk2，-Ar1，其中Ar1是一个可选择取代的芳香或杂环芳基！，-Alk2Ar1或-X2Alk2Ar1；以及它们的盐、溶剂合物、水合物和N-氧化物。这些化合物是蛋白酪氨酸激酶p56.lck的选择性抑制剂，并且用于预防和治疗免疫性疾病、过度增殖性疾病和其他与不适当的p56.lck活性有关的疾病。
• [EN] RADIOLABELED COMPOUNDS AND THEIR USE AS RADIOTRACERS FOR QUANTITATIVE IMAGING OF PHOSPHODIESTERASE (PDE10A) IN MAMMALS<br/>[FR] COMPOSÉS RADIOMARQUÉS ET LEUR UTILISATION EN TANT QUE RADIOTRACEURS POUR L'IMAGERIE QUANTITATIVE DE LA PHOSPHODIESTÉRASE (PDE10A) CHEZ LES MAMMIFÈRES
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013027845A1

  公开（公告）日：2013-02-28

  The present invention provides radiolabeled compounds useful as radiotracers for quantitative imaging of PDE10A in mammals. The compound of the present invention is represented by the formula (I): wherein each symbols are as defined in the specification.

  本发明提供了用作哺乳动物中PDE10A定量成像的放射标记化合物，该化合物由以下公式（I）表示：其中每个符号如规范中定义。