2-溴-1-硝基-3-三氟甲苯 | 24034-22-8

• 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-溴-1-硝基-3-三氟甲苯
• 英文名称: 2-Brom-3-nitro-benzotrifluorid
• 英文别名: 2-Bromo-1-nitro-3-(trifluoromethyl)benzene
• CAS: 24034-22-8
• 化学式: C₇H₃BrF₃NO₂
• 分子量: 270.006
• InChiKey: DCGZVTANWJKOPM-UHFFFAOYSA-N

物化性质

• 沸点：
  213.1±35.0 °C(Predicted)
• 密度：
  1.788±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2904909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-1-nitro-3-(trifluoromethyl)benzene
Synonyms: 2-Bromo-3-nitrobenzotrifluoride

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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-Bromo-1-nitro-3-(trifluoromethyl)benzene
CAS number: 24034-22-8

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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.
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: C7H3BrF3NO2
Molecular weight: 270.0

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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, nitrogen oxides, 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：

  2-溴-1-硝基-3-三氟甲苯 在 铁粉 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-Chlor-3-(2-formylamino-6-trifluormethyl-phenoxy)-benzoesaeure
  参考文献：
  名称：

  吩恶嗪-1-羧酸的合成及抗炎筛选。

  摘要：

  DOI：

  10.1021/jm00310a024
• 作为产物：
  描述：

  2-溴-3-硝基苯甲酸 在 sulfur tetrafluoride 作用下， 生成 2-溴-1-硝基-3-三氟甲苯
  参考文献：
  名称：

  吩恶嗪-1-羧酸的合成及抗炎筛选。

  摘要：

  DOI：

  10.1021/jm00310a024

文献信息

• [EN] CHEMICAL PROCESSES<br/>[FR] PROCESSUS CHIMIQUES
  申请人：AVENTIS CROPSCIENCE SA

  公开号：WO2000021922A2

  公开（公告）日：2000-04-20

  (57) Abstract The invention relates to a process for the preparation of a compound of formula (I): wherein, R1 represents C¿1-4 ?alkoxy; fluorine, chlorine or bromine; and R?2¿ represents hydrogen or C¿1-4 ?alkoxy; which process comprises the reaction of the corresponding orthonitrohalobenzene of formula (II): wherein R?1 and R2¿ are as hereinbefore defined and X represents a fluorine, chlorine or bromine atom, with, when X represents a fluorine atom: a) an alkali metal cyanide, in a non aqueous solvent optionally in the presence of a catalyst; or when X represents a chlorine atom: b) cuprous cyanide and a source of bromide selected from hydrogen bromide, bromine and a tetraalkylammonium bromide; optionally in the presence of an alkali metal bromide or an alkaline earth metal bromide; or c) an alkali metal cyanide or a tetraalkylammonium cyanide, in the presence of an alkali metal bromide or an alkaline earth metal bromide; or c) an alkali metal cyanide or a tetraalkylammonium cyanide, in the presence of cuprous bromide and a phase transfer catalyst; or d) cuprous cyanide and lithium iodide; or when X represents a bromine atom: e) cuprous cyanide optionally in the presence of a catalyst selected from an alkali metal bromide or an alkaline earth metal bromide; or f) an alkalie metal cyanide in the presence of a catalytic amount of cuprous cyanide and a phase transfer catalyst.

  (57) 摘要 本发明涉及一种制备具有式(I)化合物的工艺：其中，R1代表C1-4烷氧基；氟、氯或溴；且R2代表氢或C1-4烷氧基。该工艺包括以下反应：所述反应对应物为具有式(II)的邻硝基卤代苯：其中R1和R2如前述所定义，X代表氟原子、氯原子或溴原子。当X代表氟原子时： (a) 在非水溶剂中使用碱金属氰化物，任选地在催化剂存在下； 当X代表氯原子时： (b) 铜粉氰化物和溴化物来源，所述溴化物来源选自氢溴酸、溴和四烷基鏻溴化物；任选地在碱金属溴化物或碱土金属溴化物存在下；或 (c) 碱金属氰化物或四烷基鏻氰化物，在碱金属溴化物或碱土金属溴化物存在下；或 (c) 碱金属氰化物或四烷基鏻氰化物，在铜粉溴化物和相转移催化剂存在下；或 (d) 铜粉氰化物和碘化锂； 当X代表溴原子时： (e) 铜粉氰化物，任选地在选自碱金属溴化物或碱土金属溴化物的催化剂存在下；或 (f) 碱金属氰化物，在催化量的铜粉氰化物和相转移催化剂存在下。
• CHEMICAL PROCESSES
  申请人：AVENTIS CROPSCIENCE S.A.

  公开号：EP1121344A2

  公开（公告）日：2001-08-08
• Synthesis and antiinflammatory screening of phenoxazine-1-carboxylic acids
  作者：Benjamin Blank、Lawrence L. Baxter

  DOI：10.1021/jm00310a024

  日期：1968.7
• Saggiomo,A.J. et al., Journal of Heterocyclic Chemistry, 1969, vol. 6, p. 631 - 634
  作者：Saggiomo,A.J. et al.

  DOI：——

  日期：——