5-溴-4-氯-2-氟甲苯 | 201849-18-5

• 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: 5-溴-4-氯-2-氟甲苯
• 中文别名: 4-氯-2-氟-5-溴甲苯；2-氟-5-溴-4-氯甲苯
• 英文名称: 1-bromo-2-chloro-4-fluoro-5-methylbenzene
• 英文别名: 5-bromo-4-chloro-2-fluorotoluene
• CAS: 201849-18-5
• 化学式: C₇H₅BrClF
• 分子量: 223.472
• InChiKey: DNHPIRQSZOBOQL-UHFFFAOYSA-N

物化性质

• 沸点：
  221.8±35.0 °C(Predicted)
• 密度：
  1.618±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  10
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2903999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-4-chloro-2-fluorotoluene
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: 5-Bromo-4-chloro-2-fluorotoluene
CAS number: 201849-18-5

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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: C7H5BrClF
Molecular weight: 223.5

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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 chloride, 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：

  5-溴-4-氯-2-氟甲苯 、 氰化锌 在 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 13.0h， 生成 2-chloro-4-fluoro-5-methylbenzonitrile
  参考文献：
  名称：

  WO2007/15567

  摘要：

  公开号：
• 作为产物：
  描述：

  、 亚硝酸丁酯 、 2-溴-5-氟-4-甲基苯胺 、 、 盐酸 在 乙醚 、 magnesium sulfate 、 正己烷 作用下， 以 乙腈 为溶剂， 反应 0.67h， 以obtaining the title compound (5.6 g) as a pale yellow oil的产率得到5-溴-4-氯-2-氟甲苯
  参考文献：
  名称：

  Pyridonecarboxylic acid derivatives or salts thereof and drugs

  摘要：

  本发明涉及一种以一般式（1）表示的吡啶酮羧酸衍生物：##STR1##其中，R.sup.1为--OH，羧保护基或（烷基）氨基，R.sup.2为H或--NO.sub.2，（保护的）氨基，（保护的）羟基，低级烷基或低级烷氧基，R.sup.3为卤素原子，H或--NO.sub.2，低级烷基，低级烷氧基或氨基，R.sup.4为偶氮基，（取代的）肼基，（取代的）氨基，低级烷氧基或羟基，R.sup.5，R.sup.6和R.sup.7独立地为H，--NO.sub.2，卤素原子或低级烷基，R.sup.8为--NO.sub.2，（取代的）氨基，--OH或低级烷氧基，A为N或C--R.sup.12，其中R.sup.12为H，卤素原子或（取代的）低级烷基，低级烯基，低级炔基，低级烷氧基，低级烷硫基或硝基，B为N或C--R.sup.13，其中R.sup.13为H或卤素原子，或其盐，以及包含此类化合物作为活性成分的药物。该衍生物或其盐表现出优异的抗菌作用和口服吸收性，几乎不引起副作用，并且易于合成。

  公开号：

  US06136823A1

文献信息

• Pyridonecarboxylic acid derivatives or salts thereof and drugs
  申请人：Wakunaga Pharmaceutical Co., Ltd.

  公开号：US06136823A1

  公开（公告）日：2000-10-24

  The invention relates to pyridonecarboxylic acid derivatives represented by the general formula (1): ##STR1## wherein R.sup.1 is --OH, a carboxy-protecting group or (alkyl)amino group, R.sup.2 is H, or --NO.sub.2, (protected) amino, (protected) hydroxyl, lower alkyl or lower alkoxyl group, R.sup.3 is a halogen atom, H, or --NO.sub.2, lower alkyl, lower alkoxyl or amino group, R.sup.4 is an azido, (substituted) hydrazino, (substituted) amino, lower alkoxyl or hydroxyl group, R.sup.5, R.sup.6 and R.sup.7 are independently H, --NO.sub.2, halogen atom or lower alkyl group, R.sup.8 is a --NO.sub.2, (substituted) amino, --OH or lower alkoxyl group, A is N or C--R.sup.12, in which R.sup.12 is H, halogen atom, or (substituted) lower alkyl, lower alkenyl, lower alkynyl, lower alkoxyl, lower alkylthio or nitro group, and B is N or C--R.sup.13, in which R.sup.13 is H or halogen atom, or salts thereof, and medicine comprising such a compound as an active ingredient. The derivatives or the salts thereof exhibit excellent antibacterial action and peroral absorbability, scarcely cause side effects, and are easy of synthesis.

  该发明涉及由通式（1）表示的吡啶酮羧酸衍生物：##STR1##其中R.sup.1为--OH、羧保护基团或（烷基）氨基团，R.sup.2为H或--NO.sub.2、（保护）氨基、（保护）羟基、较低烷基或较低烷氧基团，R.sup.3为卤素原子、H或--NO.sub.2、较低烷基、较低烷氧基或氨基团，R.sup.4为偶氮基、（取代）叠氮基、（取代）氨基、较低烷氧基或羟基团，R.sup.5、R.sup.6和R.sup.7独立地为H、--NO.sub.2、卤素原子或较低烷基团，R.sup.8为--NO.sub.2、（取代）氨基、--OH或较低烷氧基团，A为N或C--R.sup.12，其中R.sup.12为H、卤素原子或（取代）较低烷基、较低烯基、较低炔基、较低烷氧基、较低硫代烷基或硝基团，B为N或C--R.sup.13，其中R.sup.13为H或卤素原子，或其盐，以及包括此类化合物作为活性成分的药物。这些衍生物或其盐表现出优异的抗菌作用和口服吸收性，几乎不会引起副作用，并且易于合成。
• Cyclic amine compound
  申请人：Yamamoto Satoshi

  公开号：US20100152236A1

  公开（公告）日：2010-06-17

  A compound represented by the formula (I) wherein ring A is a 5- to 8-membered ring optionally having further substituent(s) other than R 6 , R 7 and R 8 , R 1 is an electron-withdrawing group, R 2 , R 3 , R 4 and R 5 are each independently a hydrogen atom, a halogen atom, a group bonded via a carbon atom, a group bonded via a nitrogen atom, a group bonded via an oxygen atom or a group bonded via a sulfur atom, R 6 is a halogen atom, a group bonded via a carbon atom, a group bonded via a nitrogen atom, a group bonded via an oxygen atom or a group bonded via a sulfur atom, R 7 is a cyano group, a nitro group, an acyl group optionally having substituent(s), an optionally esterified or amidated carboxyl group or a hydrocarbon group optionally having substituent(s), or R 6 and R 7 optionally form, together with the carbon atom bonded thereto, a ring optionally having substituent(s), and R 8 is a hydrogen atom, a halogen atom, a group bonded via a carbon atom, a group bonded via a nitrogen atom, a group bonded via an oxygen atom or a group bonded via a sulfur atom, or a salt thereof has a superior action as an androgen receptor modulator, and is useful for the prophylaxis or treatment of hypogonadism, male climacteric disorder, frailty, cachexia, osteoporosis and the like.

  化合物的化学式为（I），其中环A是一个5到8个成员的环，可以选择性地具有除R6、R7和R8以外的其他取代基，R1是一个电子吸引基团，R2、R3、R4和R5分别是氢原子、卤素原子、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团，R6是卤素原子、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团，R7是氰基、硝基、可选择具有取代基的酰基、可选择酯化或酰胺化的羧基或可选择具有取代基的碳氢基团，或R6和R7可选择地与其键合的碳原子一起形成一个可选择具有取代基的环，R8是氢原子、卤素原子、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团，或其盐具有卓越的雄激素受体调节剂作用，并且用于预防或治疗性腺机能减退、男性更年期障碍、虚弱、消瘦、骨质疏松等。
• NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：EP0945435A1

  公开（公告）日：1999-09-29

  The invention relates to pyridonecarboxylic acid derivatives represented by the general formula (1): wherein R1 is -OH, a carboxy-protecting group or (alkyl)-amino group, R2 is H, or -NO2, (protected) amino, (protected) hydroxyl, lower alkyl or lower alkoxyl group, R3 is a halogen atom, H, or -NO2, lower alkyl, lower alkoxyl or amino group, R4 is an azido, (substituted) hydrazino, (substituted) amino, lower alkoxyl or hydroxyl group, R5, R6 and R7 are independently H, -NO2, halogen atom or lower alkyl group, R8 is a -NO2, (substituted) amino, -OH or lower alkoxyl group, A is N or C-R12, in which R12 is H, halogen atom, or (substituted) lower alkyl, lower alkenyl, lower alkynyl, lower alkoxyl, lower alkylthio or nitro group, and B is N or C-R13, in which R13 is H or halogen atom, or salts thereof, and medicine comprising such a compound as an active ingredient. The derivatives or the salts thereof exhibit excellent antibacterial action and peroral absorbability, scarcely cause side effects, and are easy of synthesis.

  本发明涉及通式（1）所代表的吡啶甲酸衍生物： 其中 R1 是-OH、羧基保护基团或（烷基）-氨基；R2 是 H、或-NO2、（保护）氨基、（保护）羟基、低级烷基或低级烷氧基；R3 是卤素原子、H、或-NO2、低级烷基、低级烷氧基或氨基；R4 是叠氮基、（取代的）肼基、（取代的）氨基、低级烷氧基或羟基；R5、R6 和 R7 独立地是 H、-NO2、A是N或C-R12，其中R12是H、卤素原子或（取代的）低级烷基、低级烯基、低级炔基、低级烷氧基、低级烷硫基或硝基，B是N或C-R13，其中R13是H或卤素原子，或其盐，以及包含此类化合物作为活性成分的药物。这些衍生物或其盐具有出色的抗菌作用和口腔吸收性，几乎不会产生副作用，而且易于合成。
• CYCLIC AMINE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1911743A1

  公开（公告）日：2008-04-16

  A compound represented by the formula (I) wherein ring A is a 5- to 8-membered ring optionally having further substituent(s) other than R6, R7 and R8, R1 is an electron-withdrawing group, R2, R3, R4 and R5 are each independently a hydrogen atom, a halogen atom, a group bonded via a carbon atom, a group bonded via a nitrogen atom, a group bonded via an oxygen atom or a group bonded via a sulfur atom, R6 is a halogen atom, a group bonded via a carbon atom, a group bonded via a nitrogen atom, a group bonded via an oxygen atom or a group bonded via a sulfur atom, R7 is a cyano group, a nitro group, an acyl group optionally having substituent(s), an optionally esterified or amidated carboxyl group or a hydrocarbon group optionally having substituent(s), or R6 and R7 optionally form, together with the carbon atom bonded thereto, a ring optionally having substituent(s), and R8 is a hydrogen atom, a halogen atom, a group bonded via a carbon atom, a group bonded via a nitrogen atom, a group bonded via an oxygen atom or a group bonded via a sulfur atom, or a salt thereof has a superior action as an androgen receptor modulator, and is useful for the prophylaxis or treatment of hypogonadism, male climacteric disorder, frailty, cachexia, osteoporosis and the like.

  由式 (I) 代表的化合物 其中环 A 是一个 5 至 8 元环，除 R6、R7 和 R8 外，还可选择具有其他取代基、 R1 是一个抽电子基团、 R2、R3、R4 和 R5 各自独立地为氢原子、卤素原子、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团、 R6 是卤素原子、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团、 R7 是氰基、硝基、可选择具有取代基的酰基、可选择酯化或酰胺化的羧基或可选择具有取代基的烃基，或 R6 和 R7 可选择与其键合的碳原子一起形成可选择具有取代基的环，以及 R8 是氢原子、卤素原子、通过碳原子键合的基团、通过氮原子键合的基团、通过氧原子键合的基团或通过硫原子键合的基团，或其盐具有作为雄激素受体调节剂的优异作用，可用于预防或治疗性腺功能减退、男性性腺功能紊乱、虚弱、恶病质、骨质疏松症等。
• CONTROL OF SUSTAINED CASING PRESSURE IN WELLBORE ANNULI
  申请人：Albemarle Corporation

  公开号：EP3087155A1

  公开（公告）日：2016-11-02