1-溴-2-氟-4-三氟甲氧基苯 | 168971-68-4

• 物质功能分类: 化学试剂 - 有机试剂 - 芳烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-溴-2-氟-4-三氟甲氧基苯
• 中文别名: 1-溴-2-氟-4-(三氟甲氧基)苯；3-氟-4-溴三氟甲氧基苯
• 英文名称: 1-bromo-2-fluoro-4-(trifluoromethoxy)benzene
• CAS: 168971-68-4
• 化学式: C₇H₃BrF₄O
• mdl: MFCD06657548
• 分子量: 258.998
• InChiKey: KZMHSGBETSENAT-UHFFFAOYSA-N

物化性质

• 沸点：
  158.5±35.0 °C(Predicted)
• 密度：
  1.724±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362+P364,P403+P233,P501
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
Ingredient name:
CAS number: 168971-68-4

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H3BrF4O
Molecular weight: 259.0

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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, hydrogen fluoride, hydrogen bromide.

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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：

  1-溴-2-氟-4-三氟甲氧基苯 在 bis-triphenylphosphine-palladium(II) chloride 、 nitronium tetrafluoborate 、 铁粉 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 17.0h， 生成 5-(1-Benzothiophen-2-yl)-4-fluoro-2-(trifluoromethoxy)aniline
  参考文献：
  名称：

  [EN] ACLY INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS D'ACLY ET LEURS UTILISATIONS

  摘要：

  本发明提供了作为ATP柠檬酸裂合酶（ACLY）抑制剂的化合物、其组合物以及使用方法。

  公开号：

  WO2020097408A1
• 作为产物：
  描述：

  2-氟-4-(三氟甲氧基)苯胺 在 亚硝酸特丁酯 、 copper(I) bromide 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以1.3 g的产率得到1-溴-2-氟-4-三氟甲氧基苯
  参考文献：
  名称：

  EP3907218

  摘要：

  公开号：

文献信息

• FLAP MODULATORS
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：US20150259357A1

  公开（公告）日：2015-09-17

  The present invention relates to compounds of Formula (I), or a form thereof, wherein ring A, R 1 , R 2 , R 3 , R 3 ′, L, W, and V are as defined herein, useful as FLAP modulators. The invention also relates to pharmaceutical compositions comprising compounds of Formula (I). Methods of making and using the compounds of Formula (I) are also within the scope of the invention

  本发明涉及式（I）的化合物，或其形式，其中环A，R1，R2，R3，R3'，L，W和V如本文所定义，可用作FLAP调节剂。该发明还涉及包含式（I）化合物的药物组合物。制备和使用式（I）化合物的方法也属于本发明的范围。
• Insecticial 3-(2,6-disubstituted phenyl)-5-[4- or 5-arylthien-2- or -3-yl]-1,2,4-triazoles
  申请人：——

  公开号：US20030134748A1

  公开（公告）日：2003-07-17

  Triazole compounds having a 2,6-disubstituted-phenyl group in the 3-position, arylthien-2- or -3-yl in the 5-position and an alkyl group in the 1-position are effective in controlling lepidoptera, coleoptera, mites and other sucking pests.

  三唑类化合物，在3位具有2,6-二取代苯基，5位为芳基噻吩-2-或-3-基团，1位为烷基基团，对于控制鳞翅目、鞘翅目、螨类和其他吸食性害虫具有有效性。
• [EN] BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS<br/>[FR] DÉRIVÉS D'OXADIAZOLOPYRIDINE À SUBSTITUTION BENZYLE, (PYRIDIN-3-YL)MÉTHYLE OU (PYRIDIN-4-YL)MÉTHYLE UTILISÉS EN TANT QU'INHIBITEURS DE LA GHRÉLINE O-ACYLTRANSFÉRASE (GOAT)
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2019149657A1

  公开（公告）日：2019-08-08

  The present invention relates to compounds of general formula (I), wherein the groups R1 and R2 are defined as in claim 1, which have valuable pharmacological properties, in particular bind to ghrelin O-acyl transferase (GOAT) and modulate its activity. The compounds are suitable for treatment and prevention of diseases which can be influenced by this receptor, such as metabolic diseases, in particular obesity.

  本发明涉及一般式（I）的化合物，其中基团R1和R2的定义如权利要求1中所述，该化合物具有有价值的药理特性，特别是与胃饥饿素O-酰基转移酶（GOAT）结合并调节其活性。这些化合物适用于治疗和预防可以受到该受体影响的疾病，如代谢性疾病，特别是肥胖症。
• [EN] FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES<br/>[FR] PYRROLE CARBOXAMIDES SUBSTITUÉS PAR UN FLUOROMÉTHYLE
  申请人：GRUENENTHAL GMBH

  公开号：WO2014032801A1

  公开（公告）日：2014-03-06

  The invention relates to pyrrole carboxamides bearing a fluoromethyl- moiety as voltage gated calcium channel blockers, to pharmaceutical compositions containing these compounds and also to these compounds for use in the treatment and/or prophylaxis of pain and further diseases and/or disorders.

  这项发明涉及带有氟甲基基团的吡咯羧酰胺作为电压门控钙通道阻滞剂，以及含有这些化合物的药物组合物，还涉及这些化合物用于治疗和/或预防疼痛以及其他疾病和/或紊乱。
• [EN] SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS USEFUL AS GPR120 AGONISTS<br/>[FR] COMPOSÉS DE TÉTRAHYDROISOQUINOLINE SUBSTITUÉS UTILES COMME AGONISTES DU GPR120
  申请人：MERCK SHARP & DOHME

  公开号：WO2017205193A1

  公开（公告）日：2017-11-30

  The present invention relates to a compound represented by formula (I) and pharmaceutically acceptable salts thereof are disclosed as useful for treating or preventing diabetes, hyperlipidemia, obesity, NASH, inflammation related disorders, and related diseases and conditions. The compounds are useful as agonists of the G-protein coupled receptor GPR120. Pharmaceutical compositions and methods of treatment are also included.

  本发明涉及一种由公式(I)表示的化合物，以及披露了治疗或预防糖尿病、高脂血症、肥胖、非酒精性脂肪肝炎（NASH）、炎症相关疾病及相关疾病和状况有用的药用可接受盐。这些化合物作为G蛋白偶联受体GPR120的激动剂是有用的。还包含了药物组合物和治疗方法。