2-溴-4-甲基-5-硝基苯胺 | 102169-99-3

• 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: 2-溴-4-甲基-5-硝基苯胺
• 英文名称: 2-bromo-4-methyl-5-nitroaniline
• 英文别名: 2-bromo-4-methyl-5-nitro-aniline；2-Brom-4-methyl-5-nitro-anilin；5-Brom-2-nitro-4-amino-toluol；5-Nitro-2-brom-p-toluidin；2-bromo-5-nitro-p-toluidine；2-Nitro-4-amino-5-brom-toluol
• CAS: 102169-99-3
• 化学式: C₇H₇BrN₂O₂
• mdl: MFCD01239994
• 分子量: 231.049
• InChiKey: MZYLMACPWDPBQN-UHFFFAOYSA-N

物化性质

• 熔点：
  119-120 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• 沸点：
  336.8±37.0 °C(Predicted)
• 密度：
  1.698±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2921430090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  存于室温环境，避免光照，并保持干燥和密封。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-4-methyl-5-nitroaniline
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: 2-Bromo-4-methyl-5-nitroaniline
CAS number: 102169-99-3

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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: C7H7BrN2O2
Molecular weight: 231.0

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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 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-4-甲基-5-硝基苯胺 在 sodium sulfide 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 6-甲基-5-硝基-1,3-苯并噻唑
  参考文献：
  名称：

  摘要：

  Isomeric benzothiazoles having the nitro and methyl groups ortho to each other are converted into tautomeric aci-nitro derivatives on irradiation in heptane solution; in water, the corresponding more deeply colored anions are formed. The efficiency of photochromic transformations strongly depends on the position of the nitro and methyl groups in the benzene ring of the benothiazole molecule.

  DOI：

  10.1023/a:1013241516204
• 作为产物：
  描述：

  2-溴-4-甲基苯胺 在 硫酸 、 硝酸脲 作用下， 反应 0.67h， 以98%的产率得到2-溴-4-甲基-5-硝基苯胺
  参考文献：
  名称：

  对称二硝基官能化 Tröger 碱基类似物的合成

  摘要：

  报告了 2,8-二硝基取代的 Troger 碱类似物的六个新实例的合成，以及 1,7-、3,9- 和 4,10-二硝基 Troger 碱类似物的第一个实例和 a四硝基 Troger 的碱化合物。这些二硝基化合物中的一些在 2-和 8-位缺少取代基，因此提供了衍生自缺少对位取代基的苯胺的 Troger 碱类似物的进一步实例。

  DOI：

  10.1002/ejoc.200801032

文献信息

• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Sheth Urvi

  公开号：US20120309758A1

  公开（公告）日：2012-12-06

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及使用这些调节剂治疗ABC转运蛋白介导的疾病的方法。
• [EN] ARYL HYDROCARBON RECEPTOR (AHR) MODULATOR COMPOUNDS<br/>[FR] COMPOSÉS MODULATEURS DU RÉCEPTEUR DES HYDROCARBURES ARYLE (AHR)
  申请人：PHENEX PHARMACEUTICALS AG

  公开号：WO2018153893A1

  公开（公告）日：2018-08-30

  The present invention relates to 6-amido-1H-indol-2-yl compounds which can act as aryl hydrocarbon receptor (AhR) modulators and, in particular, as AhR antagonists. The invention further relates to the use of the compounds for the treatment and/or prophylaxis of diseases and/or conditions through binding of said aryl hydrocarbon receptor by said compounds.

  本发明涉及6-酰胺-1H-吲哚-2-基化合物，可作为芳香族羟基化酶（AhR）调节剂，特别是作为AhR拮抗剂。本发明还涉及利用该化合物通过结合所述AhR，治疗和/或预防疾病和/或症状的用途。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130165442A1

  公开（公告）日：2013-06-27

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜电导调节器、其组成物以及使用它们的方法。本发明还涉及使用这种调节剂治疗ABC转运蛋白介导的疾病的方法。
• Silicone elastomer compositions
  申请人：Dow Corning Corporation

  公开号：EP2192145A1

  公开（公告）日：2010-06-02

  This invention relates to silicone elastomer compositions in the form of gels and/or organized structures. The silicone elastomer compositions are produced by reacting a siloxane having a first reactive group with a crosslinker having a second reactive group in a diluent. One reactive group is selected from epoxy-functional groups or chlorohydrin functional groups while the other reactive group is a functional group that reacts with epoxy-functional groups or chlorohydrin functional groups (i.e. amine, hydroxyl). The silicone elastomer compositions of the instant invention are particularly useful in personal care products, textiles, auto care products, and laundry products and for the delivery of active ingredients.

  本发明涉及凝胶和/或有组织结构形式的有机硅弹性体组合物。有机硅弹性体组合物是通过具有第一反应基团的硅氧烷与具有第二反应基团的交联剂在稀释剂中反应而制成的。其中一个反应基团选自环氧官能团或氯醇官能团，而另一个反应基团是与环氧官能团或氯醇官能团反应的官能团（如胺、羟基）。本发明的有机硅弹性体组合物尤其适用于个人护理产品、纺织品、汽车护理产品和洗衣产品以及活性成分的输送。
• AMINOPYRAZOLE DERIVATIVES
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3312172A1

  公开（公告）日：2018-04-25

  An objective of the present invention is to provide low-molecular-weight compounds that can inhibit Src family kinases. The present invention relates to compounds represented by general formula (I) or pharmacologically acceptable salts thereof. In the formula, Ar1 is optionally substituted C6-10 arylene or 5- to 10-membered heteroarylene, and Ar2 is optionally substituted C6-10 aryl or 5- to 10-membered heteroaryl. R1 and R2 are defined as described in the specification.

  本发明的目的是提供可抑制 Src 家族激酶的低分子量化合物。本发明涉及通式（I）所代表的化合物或其药理学上可接受的盐类。式中，Ar1为任选取代的C6-10芳基或5-10元杂芳基，Ar2为任选取代的C6-10芳基或5-10元杂芳基。R1 和 R2 的定义如说明书所述。