1,2-亚甲基二氧基-3-氟苯 | 943830-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 中文名称: 1,2-亚甲基二氧基-3-氟苯
• 英文名称: 4-fluorobenzo[1,3]dioxolane
• 英文别名: 4-Fluorobenzo[d][1,3]dioxole；4-fluoro-1,3-benzodioxole
• CAS: 943830-74-8
• 化学式: C₇H₅FO₂
• mdl: MFCD12026062
• 分子量: 140.114
• InChiKey: XZOPYMLLBJNBKK-UHFFFAOYSA-N

物化性质

• 沸点：
  170.9±29.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  3

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Fluro-1,2-methylenedioxybenzene
Synonyms: 4-Fluorobenzo[d][1,3]dioxole

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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-Fluro-1,2-methylenedioxybenzene
CAS number: 943830-74-8

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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: C7H5FO2
Molecular weight: 140.1

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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.

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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：

  1,2-亚甲基二氧基-3-氟苯 在 Potassium benzoate 、 sodium hydride 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 水 、 二甲基亚砜 、 甲苯 为溶剂， 反应 25.0h， 生成 ((S)-3-(benzo[d][1,3]dioxol-4-yloxy)-N-methyl-3-(thiophen-2-yl)propan-1-amine)
  参考文献：
  名称：

  氘代光学异构体及其医药用途

  摘要：

  本发明提供由结构式结构式Ia和Ib所代表的化合物及其非毒性药学上可接受的盐，及其在制备治疗抑郁症的药物中的用途。式I中，R1、R2、R3、R4、R5、R6、R7及R8分别独立地为H或氘(D)；同时，R1、R2、R3、R4、R5、R6、R7及R8中必须至少有一个为D。

  公开号：

  CN108947989B
• 作为产物：
  描述：

  2-氟苯酚 在 聚合甲醛 、 三乙胺 、 cesium fluoride 、 magnesium chloride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.25h， 生成 1,2-亚甲基二氧基-3-氟苯
  参考文献：
  名称：

  氘代光学异构体及其医药用途

  摘要：

  本发明提供由结构式结构式Ia和Ib所代表的化合物及其非毒性药学上可接受的盐，及其在制备治疗抑郁症的药物中的用途。式I中，R1、R2、R3、R4、R5、R6、R7及R8分别独立地为H或氘(D)；同时，R1、R2、R3、R4、R5、R6、R7及R8中必须至少有一个为D。

  公开号：

  CN108947989B

文献信息

• 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides
  申请人：Balko W. Terry

  公开号：US20070179060A1

  公开（公告）日：2007-08-02

  4-Aminopicolinic acids having tri- and tetra-substituted aryl substituents in the 6-position, and their amine and acid derivatives, are potent herbicides demonstrating a broad spectrum of weed control.

  在6位具有三取代和四取代芳基取代基的4-氨基吡啶酸及其胺和酸衍生物是一类高效除草剂，展示出广泛的杂草控制谱。
• 3-[(BENZO[D][1,3]DIOXOLAN-4-YL)-OXY]-3-ARYLPROPYLAMINE TYPE COMPOUNDS AND APPLICATIONS THEREOF
  申请人：NHWA PHARMA. CORPORATION

  公开号：US20170369466A1

  公开（公告）日：2017-12-28

  The present invention relates to 3-[(benzo[d][1,3]dioxolan-4-yl)-oxy]-3-arylpropylamine compounds of formula I or pharmaceutically acceptable salts thereof and use thereof. The compound may be used to prepare an antidepressant agent.

  本发明涉及公式I的3-[(苯并[d][1,3]二氧杂环戊烷-4-基)-氧基]-3-芳基丙胺化合物或其药用盐，以及其用途。该化合物可用于制备抗抑郁药物。
• 胺类化合物的新用途
  申请人：上海璃道医药科技有限公司

  公开号：CN107840845A

  公开（公告）日：2018-03-27

  本发明提供了胺类化合物的制备以及新用途。具体地，本发明提供了式A所示的化合物、或其光学异构体或其外消旋体、或其溶剂化物、或其药学上可接受的盐及其医药用途，它们被用于制备一药物组合物或制剂，所述药物组合物或制剂用于(a)抑制瞬时受体电位通道蛋白TRPA1；(b)治疗与瞬时受体电位通道蛋白相关的疾病，式中，各基团定义如说明书中所述。
• 光学异构体及其医药用途
  申请人：石药集团中奇制药技术（石家庄）有限公司

  公开号：CN102850335B

  公开（公告）日：2017-02-22

  本发明涉及式Ia和Ib所示的光学异构体，即(R)‑N‑甲基‑3‑[(苯并[1，3]二氧戊环‑4‑基)氧基]‑3‑(噻吩‑2‑基)‑丙胺和(S)‑N‑甲基‑3‑[(苯并[1，3]二氧戊环‑4‑基)氧基]‑3‑(噻吩‑2‑基)‑丙胺，及其药学上可接受的盐，以及含有式Ia或Ib所示的光学异构体及其药学上可接受的盐作为活性成分的药物组合物及其作为抗抑郁药物的用途：
• 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides
  申请人：Balko W. Terry

  公开号：US20080045734A1

  公开（公告）日：2008-02-21

  4-Aminopicolinic acids having tri- and tetra-substituted aryl substituents in the 6-position, and their amine and acid derivatives, are potent herbicides demonstrating a broad spectrum of weed control.

  在6位位置上具有三取代和四取代芳基取代基的4-氨基吡啶酸及其胺和酸衍生物是具有广谱除草作用的强效除草剂。