2,3-二氟三氟甲苯 | 64248-59-5

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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: 2,3-二氟三氟甲苯
• 中文别名: 2.3-二氟三氟甲苯
• 英文名称: 1,2-difluoro-3-(trifluoromethyl)benzene
• 英文别名: 2,3-difluorobenzotrifluoride
• CAS: 64248-59-5
• 化学式: C₇H₃F₅
• mdl: MFCD01631429
• 分子量: 182.093
• InChiKey: CBOJZWDLNLMBLM-UHFFFAOYSA-N

物化性质

• 沸点：
  115.9±35.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  3
• 危险品标志：
  F
• 安全说明：
  S26,S36
• 危险类别码：
  R10,R36/37/38
• 危险品运输编号：
  1993
• 海关编码：
  2903999090
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H225,H315,H319,H335
• 储存条件：
  存放在密封容器内，并置于阴凉、干燥处。请确保储存地点远离氧化剂。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1,2-Difluoro-3-trifluoromethylbenzene
Synonyms: 2,3-Difluorobenzotrifluoride

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H226: Flammable liquid and vapour
H315: Causes skin irritation
H319: Causes serious eye irritation
May cause respiratory irritation
H335:
P210: Keep away from heat/sparks/open flames/hot surfaces. No smoking
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

---

Section 3. Composition/information on ingredients.
Ingredient name: 1,2-Difluoro-3-trifluoromethylbenzene
CAS number: 64248-59-5

---

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.

---

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.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H3F5
Molecular weight: 182.1

---

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.

---

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.

---

Section 14. Transportation information
UN Number: UN1993 Class: 3 Packing group: III
Proper shipping name: FLAMMABLE LIQUIDS, N.O.S. (1,2-Difluoro-3-trifluoromethylbenzene)

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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

制备方法与用途

2,3-二氟三氟甲苯可用作有机合成中间体和医药中间体，主要应用于实验室研发和化工生产过程。

反应信息

• 作为反应物：
  描述：

  2,3-二氟三氟甲苯 在 盐酸 、 氯 、 sodium hydride 、 potassium carbonate 作用下， 以 水 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 36.0h， 生成 2-(2,2-二氟乙氧基)-6-(三氟甲基)苯磺酰氯
  参考文献：
  名称：

  一种6-取代-2-三氟甲基苯磺酰氯的制备方法

  摘要：

  本发明涉及作为磺酰胺或磺酰脲类除草剂的关键中间体的一种6‑取代‑2‑三氟甲基苯磺酰氯的制备方法，以2，3‑二氯三氟甲苯为原料，经氟置换、烃硫基取代而形成6‑氟‑2‑三氟甲基苯硫醚，然后经氯气氧化氯代或取代后再与氯气氧化氯代而制得产品。该方法原料易得，工艺简单，产率高，成本低廉。

  公开号：

  CN104693080B
• 作为产物：
  描述：

  3-氟甲苯 在 potassium fluoride 、 18-冠醚-6 、 硫酸 、 氢氟酸 、 三氧化硫 、 氯 作用下， 以 水 、 甲苯 为溶剂， 30.0~230.0 ℃ 、2.2 MPa 条件下， 反应 16.0h， 生成 2,3-二氟三氟甲苯
  参考文献：
  名称：

  一种工业化制备2,3-二氟三氟甲苯、3,4-二氟 苯腈的连续生产方法

  摘要：

  本发明公开一种工业化制备2,3‑二氟三氟甲苯、3,4‑二氟苯腈的连续生产方法，其中2,3‑二氟三氟甲苯涉及苯磺酰胺和苯磺酰脲类除草剂的中间体原料的制备方法，3,4‑二氟苯腈涉及氰氟草脂中间体原料的制备方法，该方法适用于工业化生产，相对于现有方法成本低，生产效率高，污染少。

  公开号：

  CN107488098B

文献信息

• [EN] CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS<br/>[FR] CARBOXAMIDES UTILISÉS EN TANT QUE MODULATEURS DE CANAUX SODIQUES
  申请人：VERTEX PHARMA

  公开号：WO2020146682A1

  公开（公告）日：2020-07-16

  Compounds, and pharmaceutically acceptable salts thereof, useful as inhibitors of sodium channels are provided. Also provided are pharmaceutical compositions comprising the compounds or pharmaceutically acceptable salts and methods of using the compounds, pharmaceutically acceptable salts, and pharmaceutical compositions in the treatment of various disorders, including pain.

  提供了一种用作钠通道抑制剂的化合物，以及它们的药物可接受的盐。还提供了包含这些化合物或药物可接受的盐的药物组合物，以及使用这些化合物、药物可接受的盐和药物组合物治疗各种疾病，包括疼痛的方法。
• Methods for Treating Dependence
  申请人：Woiwode Tom

  公开号：US20090041800A1

  公开（公告）日：2009-02-12

  Provided are methods of treating patients suffering from or susceptible to at least one symptom of abuse of, dependence on, or withdrawal from at least one substance with Compound A. Also provided are methods of treating at least one phase of substance dependence on at least one substance in patients and certain methods of treating at least one phase of cocaine dependence in patients.

  提供了使用化合物A治疗患有或易受至少一种物质滥用、依赖或戒断症状的患者的方法。还提供了治疗患者至少一种物质依赖的方法以及治疗患者可卡因依赖至少一种阶段的方法。
• METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN
  申请人：KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION

  公开号：US20150274689A1

  公开（公告）日：2015-10-01

  A method for producing a multisubstituted biphenyl compound is represented by the following formula (2), including a step of coupling a substituted benzene compound represented by the following formula (1) in the presence of a solid catalyst with gold immobilized onto a support.

  生产多取代联苯化合物的方法由以下公式（2）表示，包括在固体催化剂存在下，将以下公式（1）表示的取代苯化合物与固载金进行偶联的步骤。
• 一种羧酸衍生物取代的亚氨基芳基化合物及其制备方法、除草组合物和应用
  申请人：青岛清原化合物有限公司

  公开号：CN113105405B

  公开（公告）日：2022-11-15

  本发明属于农药技术领域，具体涉及一种羧酸衍生物取代的亚氨基芳基化合物及其制备方法、除草组合物和应用。所述化合物如通式I所示：Q代表Y代表卤素、卤代烷基或氰基；Z代表卤素；M代表CH或N；W代表OX5、SX5或N(X5)2；X代表‑CX1X2‑(烷基)n‑、‑烷基‑CX1X2‑(烷基)n‑或‑(CH2)r‑；X3、X4分别独立地代表O、S、NH或N‑烷基等。所述化合物即使在低施用率下对禾本科杂草、阔叶杂草及莎草科杂草等也具有优异的除草活性，并对作物具有高选择性。
• Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof
  申请人：The Board of Regents for Oklahoma State University

  公开号：US20200399196A1

  公开（公告）日：2020-12-24

  Methods of synthesizing compounds comprising fluorinated aryl groups are disclosed, wherein said methods utilize hydrogen bond directed photocatalytic hydrodefluorination.

  揭示了合成含氟芳基化合物的方法，其中所述方法利用氢键定向的光催化脱氟化反应。