3-溴-N-乙基苯甲酰胺 | 26819-10-3

• 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: 3-溴-N-乙基苯甲酰胺
• 英文名称: 3-bromo-N-ethylbenzamide
• 英文别名: N-Ethyl-3-bromobenzamide；3-bromo-benzoic acid ethylamide；3-Brom-benzoesaeure-aethylamid；3-Bromo-N-aethylbenzamid；m-Brom-N-ethylbenzamid
• CAS: 26819-10-3
• 化学式: C₉H₁₀BrNO
• mdl: MFCD01215180
• 分子量: 228.088
• InChiKey: BYCKUGXGVHIJFY-UHFFFAOYSA-N

物化性质

• 熔点：
  81-82 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  329.9±25.0 °C(Predicted)
• 密度：
  1.403±0.06 g/cm3(Predicted)
• 保留指数：
  1752

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2924299090
• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319
• 储存条件：
  存储条件：2-8℃，干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-N-ethylbenzamide
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: 3-Bromo-N-ethylbenzamide
CAS number: 26819-10-3

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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: C9H10BrNO
Molecular weight: 228.1

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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, nitrogen oxides, 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：

  3-溴-N-乙基苯甲酰胺 在 重水 作用下， 以 吡啶 、 二氯甲烷 为溶剂， 反应 24.0h， 以99%的产率得到3-溴-N-乙基苯甲酰胺-N-d
  参考文献：
  名称：

  酸性氘到卤素-锂交换位点的正式分子内转移是否表明锂-卤素交换比失去酸性氘更快？支持替代机制的证据

  摘要：

  酸性氘正式分子内转移到卤素-锂交换位点的反应可以解释为表明最初的卤素-锂交换发生得比酸性氘的损失更快。然而，对 N-deuterio-N-烷基-o、-m-和-p-卤代苯甲酰亚胺的卤素-金属-氘损失之间的竞争的研究与该机制不一致。他们提出了一种替代方案，其中酸性氘的初始损失随后是卤素-锂交换以得到二锂化的中间体。然后通过二锂化物质与未反应的 N-氘化酰胺发生分子间反应，将氘转移到卤素-锂交换位点。卤素-锂交换比反应物的完全混合更快，并且可以在最初形成的去质子化络合物中或在有机锂试剂的瞬时高局部浓度中发生。提供了两种可能性的证据。已经重新研究了文献中卤素-锂交换似乎比酸性氢的转移更快的两个反应，并发现它们可以用相似的序列来解释。

  DOI：

  10.1021/ja00219a031
• 作为产物：
  描述：

  间溴苯甲酸 在 sodium hydroxide 、 氯化亚砜 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.5h， 生成 3-溴-N-乙基苯甲酰胺
  参考文献：
  名称：

  酸性氘到卤素-锂交换位点的正式分子内转移是否表明锂-卤素交换比失去酸性氘更快？支持替代机制的证据

  摘要：

  酸性氘正式分子内转移到卤素-锂交换位点的反应可以解释为表明最初的卤素-锂交换发生得比酸性氘的损失更快。然而，对 N-deuterio-N-烷基-o、-m-和-p-卤代苯甲酰亚胺的卤素-金属-氘损失之间的竞争的研究与该机制不一致。他们提出了一种替代方案，其中酸性氘的初始损失随后是卤素-锂交换以得到二锂化的中间体。然后通过二锂化物质与未反应的 N-氘化酰胺发生分子间反应，将氘转移到卤素-锂交换位点。卤素-锂交换比反应物的完全混合更快，并且可以在最初形成的去质子化络合物中或在有机锂试剂的瞬时高局部浓度中发生。提供了两种可能性的证据。已经重新研究了文献中卤素-锂交换似乎比酸性氢的转移更快的两个反应，并发现它们可以用相似的序列来解释。

  DOI：

  10.1021/ja00219a031

文献信息

• [EN] BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT<br/>[FR] DERIVE DE DIPHENYLE OU SES SELS, ET PESTICIDE DONT IL CONSTITUE LE PRINCIPE ACTIF
  申请人：ISHIHARA SANGYO KAISHA

  公开号：WO2005044007A1

  公开（公告）日：2005-05-19

  A pesticide having stabilized high pesticidal effects for crop plants infected with plant diseases, is presented. The pesticide contains a biphenyl derivative represented by the formula (I) or its salt, as an active ingredient: wherein X, Y and Z are each independently a halogen atom, a hydroxyl group, a formyl group, an alkyl group which may be substituted, an alkoxy group which may be substituted, an alkylthio group, an alkylsulfonyl group, an alkylsulfinyl group, or the like, A is a carbonyl group, a thiocarbonyl group, an alkylene group, or a single bond, R1 and R2 are each independently a hydrogen atom, an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aryl group which may be substituted, a formyl group, an alkylcarbonyl group, a cyano group, or the like, and m and n are each independently 0, 1, 2, 3 or 4.

  一种对感染植物病害的作物植物具有稳定高效杀虫效果的杀虫剂被提出。该杀虫剂含有作为活性成分的二苯基衍生物，该衍生物由公式(I)表示或其盐类：其中X、Y和Z各自独立为卤素原子、羟基、甲酰基、可能被取代的烷基、可能被取代的烷氧基、烷硫基、烷基亚磺酰基、烷基亚磺酰基或类似基团，A为羰基、硫羰基、亚烷基或单键，R1和R2各自独立为氢原子、可能被取代的烷基、可能被取代的烯基、可能被取代的炔基、可能被取代的芳基、甲酰基、烷基羰基、氰基或类似基团，而m和n各自独立为0、1、2、3或4。
• 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06518257B1

  公开（公告）日：2003-02-11

  To provide a composition having a steroid C17,20-lyase inhibitory activity and useful as an agent for the prophylaxis or treatment of prostatism and tumors such as breast cancer. A compound represented by the formula: wherein R is a hydrogen atom or a protecting group, R1 is a lower alkyl group or a cyclic hydrocarbon group, R2 is an aromatic hydrocarbon group optionally having substituents or an aromatic heterocyclic group optionally having substituents, R3 is a hydrocarbon group optionally having substituents, a hydroxyl group optionally having substituents, a thiol group optionally having substituents, an amino group optionally having substituents, an acyl group or a halogen atom, and n is an integer of 0 to 4, and a salt thereof have a steroid C17,20-lyase inhibitory activity, and are useful as an agent for the pophylaxis or treatment of prostatism and tumors such as beast cancer and the like.

  提供一种具有类固醇C17,20-裂解酶抑制活性的化合物，并且作为预防或治疗前列腺增生和乳腺癌等肿瘤的药物。所述化合物的结构式如下：其中R为氢原子或保护基，R1为较低的烷基或环烃基，R2为芳香烃基，可选择地具有取代基，或芳香杂环基，可选择地具有取代基，R3为烃基，可选择地具有取代基，羟基，可选择地具有取代基，硫醇基，可选择地具有取代基，氨基，可选择地具有取代基，酰基或卤原子，n为0到4的整数，以及其盐具有类固醇C17,20-裂解酶抑制活性，并且作为预防或治疗前列腺增生和乳腺癌等肿瘤的药物。
• m-Phenoxybenzamide derivatives
  申请人：Sumitomo Chemical Company, Limited

  公开号：US04173464A1

  公开（公告）日：1979-11-06

  A herbicidal composition which comprises as an active ingredient a m-phenoxybenzamide compound of the formula: ##STR1## wherein X, which may be the same or different, is a halogen atom or a lower alkyl or lower alkoxy group, n is zero or an integer of 1 to 5 and R is a group of the formula: ##STR2## (in which R.sub.1 is a hydrogen atom or a lower alkyl or lower alkenyl group and R.sub.2 is a lower alkyl, lower alkenyl, lower alkynyl, lower alkoxy, lower cycloalkyl, lower haloalkyl, lower alkoxy-substituted lower alkyl, lower cyanoalkyl, lower alkylamino-substituted lower alkyl or benzyl group) or an ethylenimino, pyrrolidino, dimethylpyrrolidino, piperidino, methylpiperidino, hexamethylenimino, morpholino or dimethylmorpholino group.

  一种除草剂组合物，其活性成分为公式为：##STR1##的m-苯氧基苯甲酰胺化合物，其中X可以相同或不同，是卤素原子或较低的烷基或较低的烷氧基，n为0或1到5的整数，R是公式为：##STR2##的基团（其中R.sub.1是氢原子或较低的烷基或较低的烯基基团，R.sub.2是较低的烷基，较低的烯基，较低的炔基，较低的烷氧基，较低的环烷基，较低的卤代烷基，较低的烷氧基取代的较低的烷基，较低的氰基烷基，较低的烷基氨基取代的较低的烷基或苄基）。或乙烯亚胺基，吡咯烷基，二甲基吡咯烷基，哌啶基，甲基哌啶基，六亚甲基亚胺基，吗啉基或二甲基吗啉基。
• Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors
  申请人：Fleck Roman Wolfgang

  公开号：US20090227588A1

  公开（公告）日：2009-09-10

  Disclosed are compounds active against soluble epoxide hydrolase (sEH), compositions thereof and methods of using and making same.

  本发明涉及对可溶性环氧水解酶（sEH）活性的化合物，其组成物和使用和制备它们的方法。
• Biphenyl derivative or its salt, and pesticide containing it as an active ingredient
  申请人：Mitani Shigeru

  公开号：US20070135497A1

  公开（公告）日：2007-06-14

  A pesticide having stabilized high pesticidal effects for crop plants infected with plant diseases, is presented. The pesticide contains a biphenyl derivative represented by the formula (I) or its salt, as an active ingredient: wherein X, Y and Z are each independently a halogen atom, a hydroxyl group, a formyl group, an alkyl group which may be substituted, an alkoxy group which may be substituted, an alkylthio group, an alkylsulfonyl group, an alkylsulfinyl group, or the like, A is a carbonyl group, a thiocarbonyl group, an alkylene group, or a single bond, R 1 and R 2 are each independently a hydrogen atom, an alkyl group which may be substituted, an alkenyl group which may be substituted, an alkynyl group which may be substituted, an aryl group which may be substituted, a formyl group, an alkylcarbonyl group, a cyano group, or the like, and m and n are each independently 0, 1, 2, 3 or 4.

  提供了一种稳定高杀虫效果的杀虫剂，用于感染植物病害的作物。该杀虫剂包含一种双苯衍生物，其由式（I）或其盐表示，作为活性成分：其中X、Y和Z各自独立地是卤素原子、羟基、甲酰基、可被取代的烷基、可被取代的烷氧基、烷基硫基、烷基磺酰基、烷基亚磺酰基或类似的基团，A是羰基、硫代羰基、烷基烯基或单键，R1和R2各自独立地是氢原子、可被取代的烷基、可被取代的烯基、可被取代的炔基、可被取代的芳基、甲酰基、烷基羰基、氰基或类似的基团，m和n各自独立地为0、1、2、3或4。