2-氟-1,3-二甲氧基苯 | 195136-68-6

• 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: 2-氟-1,3-二甲氧基苯
• 中文别名: 2-氟间苯二甲醚
• 英文名称: 2-fluoro-1,3-dimethoxybenzene
• 英文别名: 1,3-dimethoxy-2-fluorobenzene
• CAS: 195136-68-6
• 化学式: C₈H₉FO₂
• mdl: MFCD12547873
• 分子量: 156.157
• InChiKey: CRUUUWHTBGBSQG-UHFFFAOYSA-N

物化性质

• 沸点：
  216.0±20.0 °C(Predicted)
• 密度：
  1.102±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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: 2-Fluoro-1,3-dimethoxybenzene
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: 2-Fluoro-1,3-dimethoxybenzene
CAS number: 195136-68-6

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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.
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: C8H9FO2
Molecular weight: 156.2

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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：

  2-氟-1,3-二甲氧基苯 在 三溴化硼 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以93.5%的产率得到2-氟-1,3-苯二酚
  参考文献：
  名称：

  绿色小单孢菌唾液酸酶催化水解的去糖基化会限制周转率：Michaelis 复合物的构象意义

  摘要：

  基于核心结构 7-(5-acetamido-3,5-dideoxy-d-glycero-α-d-galacto-non-2-ulopyranosylonic acid)-(2→6) 的一组七种同位素取代的唾液酸苷天然底物类似物)-β-D-吡喃半乳糖氧基)-8-氟-4-甲基香豆素 (1, Neu5Acα2,6GalβFMU) 已被合成并用于探测 M. viridifaciens 唾液酸酶转换的限速步骤。环氧 ((18)V)、离去基团氧 ((18)V)、异头碳 ((13)V)、C3-碳 ((13) V)、C3-R 氘 ((D)V(R))、C3-S 氘 ((D)V(S)) 和 C3-双氘 ((D)(2)V) 为 0.986 ± 0.003、1.003分别为 ± 0.005、1.021 ± 0.006、1.001 ± 0.008、1.029 ± 0.007、0.891 ± 0.008 和 0.890

  DOI：

  10.1021/ja109199p
• 作为产物：
  描述：

  2-氟-1,3-二甲氧基-4-硝基苯 在 盐酸 、 palladium 10% on activated carbon 、 氢气 、 sodium nitrite 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 7.25h， 生成 2-氟-1,3-二甲氧基苯
  参考文献：
  名称：

  绿色小单孢菌唾液酸酶催化水解的去糖基化会限制周转率：Michaelis 复合物的构象意义

  摘要：

  基于核心结构 7-(5-acetamido-3,5-dideoxy-d-glycero-α-d-galacto-non-2-ulopyranosylonic acid)-(2→6) 的一组七种同位素取代的唾液酸苷天然底物类似物)-β-D-吡喃半乳糖氧基)-8-氟-4-甲基香豆素 (1, Neu5Acα2,6GalβFMU) 已被合成并用于探测 M. viridifaciens 唾液酸酶转换的限速步骤。环氧 ((18)V)、离去基团氧 ((18)V)、异头碳 ((13)V)、C3-碳 ((13) V)、C3-R 氘 ((D)V(R))、C3-S 氘 ((D)V(S)) 和 C3-双氘 ((D)(2)V) 为 0.986 ± 0.003、1.003分别为 ± 0.005、1.021 ± 0.006、1.001 ± 0.008、1.029 ± 0.007、0.891 ± 0.008 和 0.890

  DOI：

  10.1021/ja109199p

文献信息

• Fluorinated xanthene derivatives
  申请人：Molecular Probes, Inc.

  公开号：US06162931A1

  公开（公告）日：2000-12-19

  The family of dyes of the invention are fluoresceins and rhodols that are directly substituted on one or more aromatic carbons by fluorine. These fluorine-substituted fluorescent dyes possess greater photostability and have lower sensitivity to pH changes in the physiological range of 6-8 than do non-fluorinated dyes, exhibit less quenching when conjugated to a substance, and possess additional advantages. The dyes of the invention are useful as detectable tracers and for preparing conjugates of organic and inorganic substances.

  该发明的染料家族是直接在一个或多个芳香碳上被氟取代的荧光素和罗丹素。这些氟取代的荧光染料具有更高的光稳定性，在生理范围为6-8的pH变化下比非氟化染料具有较低的敏感性，当与物质结合时表现出较少的猝灭，并具有额外的优势。该发明的染料可用作可检测的示踪剂，并用于制备有机和无机物质的共轭物。
• [EN] 8-FLUORO-4-ALKYLUMBELLIFERYL ALPHA-D-GLUCOPYRANOSIDE, BIOLOGICAL STERILIZATION INDICATOR INCLUDING THE SAME AND ITS USE IN A METHOD OF DETERMINING EFFICACY OF A STERILIZATION PROCESS<br/>[FR] 8-FLUORO-4-ALKYLUMBELLIFERYL ALPHA-D-GLUCOPYRANOSIDE, INDICATEUR DE STÉRILISATION BIOLOGIQUE LE COMPRENANT ET SON UTILISATION DANS UN PROCÉDÉ DE DÉTERMINATION DE L'EFFICACITÉ D'UN PROCÉDÉ DE STÉRILISATION
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2021059058A1

  公开（公告）日：2021-04-01

  A self-contained biological sterilization indicator comprises: a housing; bacterial spores comprising, and/or capable of producing, an enzyme capable of catalyzing cleavage of an enzyme substrate; and a frangible container containing a composition, wherein the composition comprises the enzyme substrate, wherein if the frangible container is broken the composition will contact the bacterial spores to form a mixture having an initial pH in the range from 6.0 to 9.0. The enzyme substrate comprises a fluorinated 4'-alkylumbelliferyl α-D-glucopyranoside represented by the structural formula (I), wherein R is an alkyl group having from 1 to 12 carbon atoms. A biological sterilization indicator comprising a kit containing isolated components comprising (i) bacterial spores comprising, and/or capable of producing, an enzyme capable of catalyzing cleavage of the enzyme substrate and a method of assessing efficacy of a sterilization process are also disclosed.

  一个独立的生物灭菌指示器包括：一个外壳；包含细菌孢子的、和/或能够产生能够催化酶底物裂解的酶的细菌孢子；以及一个易碎容器，其中容器内含有一种组合物，该组合物包括酶底物，如果易碎容器破裂，组合物将接触细菌孢子形成具有初始pH在6.0至9.0范围内的混合物。酶底物包括由结构式(I)表示的氟化的4'-烷基炔香豆蔻基α-D-葡萄糖苷，其中R是具有1至12个碳原子的烷基基团。还公开了一种包含孤立组分的套件的生物灭菌指示器，其中组分包括（i）包含细菌孢子的、和/或能够产生能够催化酶底物裂解的酶的细菌孢子，以及一种评估灭菌过程有效性的方法。
• Transformations of Organic Molecules with F-TEDA-BF4 in Ionic Liquid Media
  作者：Jasminka Pavlinac、Marko Zupan、Stojan Stavber

  DOI：10.3390/molecules14072394

  日期：——

  ([bmim][PF(6)], 3). The range of substrates included alkyl substituted phenols 4a-c, 9, 13, 1,1-diphenylethene (15), alkyl aryl ketones 19-22, aldehydes 23-25 and methoxy-substituted benzene derivatives 26-30. The evaluation of the outcome of reactions performed in IL media in comparison to those of the corresponding reactions in conventional organic solvents revealed that the transformations in IL

  在亲水离子液体 (IL) 1-丁基-3-甲基-咪唑鎓四氟硼酸盐 ([bmim][BF(4)], 2) 中研究了 F-TEDA-BF(4) (1) 对有机分子的转化和疏水性 IL 1-丁基-3-甲基-咪唑鎓六氟磷酸盐 ([bmim][PF(6)], 3)。底物范围包括烷基取代酚 4a-c, 9, 13, 1,1-二苯基乙烯 (15)、烷基芳基酮 19-22、醛 23-25 和甲氧基取代苯衍生物 26-30。与在常规有机溶剂中的相应反应相比，在 IL 介质中进行的反应结果的评估表明，IL 中的转化效率和选择性较低。还研究了存在亲核试剂（MeOH、H(2)O、MeCN）对反应过程的影响。
• 芳香族置換キサンテン色素
  申请人：アプライド バイオシステムズ リミテッド ライアビリティー カンパニー

  公开号：JP2015057478A

  公开（公告）日：2015-03-26

  PROBLEM TO BE SOLVED: To provide a useful compound used for independent detection of multiple spatially overlapping analytes in a mixture, for example, single-tube multiplex DNA probe assays, immunoassays, multicolor DNA sequencing methods and the like.SOLUTION: There is provided an aromatic-substituted xanthene dye represented by the following formula. (Yand Yeach independently represents hydroxyl, oxygen, iminium, a linking group or an amine; Yforms a cyclic amine together with Ror Yforms a cyclic amine together with R; R, R, Rand Reach independently represents H, F, Cl, a lower alkyl, a lower alkene, sulfonate, sulfone, iminium, amide, nitrile, a lower alkoxy, phenyl or a linking group; Rrepresents a single ring or a polycyclic aromatic or the like; Rrepresents H, F, alkyl, amino or the like; and Rrepresents acetylene, a lower alkyl or the like.)

  需要解决的问题：提供一种用于独立检测混合物中多个空间重叠的分析物的有用化合物，例如单管多重DNA探针测定、免疫测定、多色DNA测序方法等。 解决方案：提供了一种由以下公式表示的芳基取代的黄色素染料。 （Y和Y分别代表羟基、氧、亚胺、连接基团或胺基；Y与R形成环状胺基，或Y与R形成环状胺基；R、R、R和R分别代表氢、氟、氯、低碳基、低烯烃、磺酸酯、砜、亚胺、酰胺、腈基、低碳氧基、苯基或连接基团；R代表单环芳香族或类似物；R代表氢、氟、烷基、氨基或类似物；R代表乙炔、低碳基或类似物。）
• Compounds and methods for fluorescent labeling
  申请人：Lukhtanov A. Eugeny

  公开号：US20050159606A1

  公开（公告）日：2005-07-21

  Compounds useful in the fluorescent labeling of biological materials are provided along with methods for their use and preparation.

  提供了在生物材料的荧光标记中有用的化合物，以及它们的使用和制备方法。