4-溴基苄基甲醚 | 1515-88-4

• 物质功能分类: 化学试剂 - 有机试剂 - 醚类
• 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: 4-溴基苄基甲醚
• 中文别名: 4-溴苄基甲醚；1-溴-4-(甲氧基甲基)苯
• 英文名称: 1-bromo-4-methoxymethylbenzene
• 英文别名: 4-bromobenzyl methyl ether；1-Bromo-4-(methoxymethyl)benzene
• CAS: 1515-88-4
• 化学式: C₈H₉BrO
• 分子量: 201.063
• InChiKey: JIMMXGXOJQXOQA-UHFFFAOYSA-N

物化性质

• 熔点：
  -15 °C(lit.)
• 沸点：
  110-112 °C/8 mmHg(lit.)
• 密度：
  1.406 g/mL at 25 °C(lit.)
• 闪点：
  106 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 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：
  9.2
• 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
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温、密闭保存，并确保干燥。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-4-(methoxymethyl)benzene
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 1-Bromo-4-(methoxymethyl)benzene
CAS number: 1515-88-4

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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.
Storage: Store in closed vessels.

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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
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H9BrO
Molecular weight: 201.1

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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 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：

  4-溴基苄基甲醚 在 2,2,6,6-四甲基哌啶氧化物 、 ammonium acetate 、 氧气 、 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 20.0h， 以36%的产率得到4-溴苯腈
  参考文献：
  名称：

  苄基醚直接转化为芳基腈

  摘要：

  建立了以NH4OAc为氮源，氧为末端氧化剂，TEMPO/HNO3催化将苄醚直接转化为芳腈的方法；该方法对于芳香腈的合成和多步有机合成中醚保护的羟基脱保护以形成腈基团都是有价值的。

  DOI：

  10.1055/s-0037-1611062
• 作为产物：
  描述：

  sodium methylate 、 对溴溴苄 在 乙酸乙酯 、 水 、 Brine 、 Sodium sulfate-III 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以to obtain the title product as a colourless oil (110.6 g; 96%)的产率得到4-溴基苄基甲醚
  参考文献：
  名称：

  GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS

  摘要：

  提供了式(I)的化合物或其盐，其中R1，R2，R3，R4，R5，R6，R7，R8，R15和m如描述中所定义。还揭示了将这些化合物用作药物治疗神经系统和神经精神障碍，特别是精神病，痴呆或注意力缺陷障碍的用途，以及用于制造这些药物的药物制剂。该发明还包括制造这些化合物和制药配方的过程。

  公开号：

  US20100113545A1
• 作为试剂：
  描述：

  sodium metabisulfite 、 2,6-二氟苯酚 在 4-溴基苄基甲醚 、 氢溴酸 作用下， 以 二硫化碳 为溶剂， 生成 4-溴-2,6-二氟苯酚
  参考文献：
  名称：

  Diphenyl ether derivatives

  摘要：

  公开号：

  EP0240121B1

文献信息

• Substituted 4-Hydroxypyrimidine-5-Carboxamides
  申请人：Clements Matthew J.

  公开号：US20090239876A1

  公开（公告）日：2009-09-24

  The present invention relates to substituted 4-hydroxypyrimidine-5-carboxamides useful as HIF prolyl hydroxylase inhibitors to treat anemia and like conditions.

  本发明涉及用作HIF脯氨酸羟化酶抑制剂以治疗贫血和类似疾病的取代4-羟基嘧啶-5-羧酰胺。
• New compounds, pharmaceutical compositions and uses thereof
  申请人：ROTH Gerald Juergen

  公开号：US20120214782A1

  公开（公告）日：2012-08-23

  The invention relates to new compounds of the formula I to their use as medicaments, to methods for their therapeutic use and to pharmaceutical compositions containing them.

  这项发明涉及公式I的新化合物，以及它们作为药物的用途，它们的治疗用途的方法，以及含有它们的药物组合物。
• [EN] SUBSTITUTED BENZAZINONES AS ANTIBACTERIAL COMPOUNDS<br/>[FR] BENZAZINONES SUBSTITUÉS À UTILISER EN TANT QUE COMPOSÉS ANTIBACTÉRIENS
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2017098440A1

  公开（公告）日：2017-06-15

  The present invention relates to LpxC antibacterial compounds of Formula (1A), corresponding pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions:, compound preparation, treatment methods and uses for bacterial infections, especially those caused by gram-negative bacteria.

  该发明涉及Formula (1A)的LpxC抗菌化合物，其相应的药学上可接受的盐，相应的药物组合物，化合物制备，细菌感染的治疗方法和用途，特别是由革兰氏阴性细菌引起的感染。
• [EN] OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS<br/>[FR] COMPOSÉS D'ACIDE OXAZOLIDINONE-HYDROXAMIQUE POUR LE TRAITEMENT D'INFECTIONS BACTÉRIENNES
  申请人：NOVARTIS AG

  公开号：WO2015066413A1

  公开（公告）日：2015-05-07

  This invention pertains generally to treating bacterial infections using organic compounds of Formula I. In certain aspects, the invention pertains to treating infections caused by Gram-negative bacteria. (I) wherein X, Y, R1, R2, R3, R4 and R5 and defined herein.

  这项发明通常涉及使用式I的有机化合物治疗细菌感染。在某些方面，该发明涉及治疗由革兰氏阴性细菌引起的感染。其中X、Y、R1、R2、R3、R4和R5在此定义。
• [EN] PIPERAZINE DERIVATIVE RENIN INHIBITORS<br/>[FR] DERIVES DE PIPERAZINE AGISSANT COMME INHIBITEURS DE LA RENINE
  申请人：WARNER LAMBERT CO

  公开号：WO2004089915A1

  公开（公告）日：2004-10-21

  Disclosed are piperazine derivatives, their manufacture and use as inhibitors of renin. Formula (I):

  揭示了哌嗪衍生物，它们的制备以及作为肾素抑制剂的用途。化学式（I）：