2-硝基-4-溴苯乙酸 | 6127-11-3

• 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-硝基-4-溴苯乙酸
• 中文别名: 4-溴-2-硝基苯乙酸；2-(4-溴-2-硝基苯基)乙酸
• 英文名称: (4-bromo-2-nitrophenyl)acetic acid
• 英文别名: 2-(4-bromo-2-nitrophenyl)acetic acid
• CAS: 6127-11-3
• 化学式: C₈H₆BrNO₄
• 分子量: 260.044
• InChiKey: LBZPHZBNFDOCCR-UHFFFAOYSA-N

物化性质

• 熔点：
  156-160
• 沸点：
  392.0±27.0 °C(Predicted)
• 密度：
  1.794

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2916399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-(4-Bromo-2-nitrophenyl)acetic acid
Product Name:
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
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
2-(4-Bromo-2-nitrophenyl)acetic acid
Ingredient name:
CAS number: 6127-11-3

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C8H6BrNO4
Molecular weight: 260.0

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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-硝基-4-溴苯乙酸 在 氢氟酸 、 锌 作用下， 以 喹啉 、 溶剂黄146 为溶剂， 反应 30.25h， 生成 2-<4-(4-Cyanphenoxy)phenyl>indol-6-carbonitril
  参考文献：
  名称：

  抗菌双阳离子2-（苯氧基苯基）-吲哚和-1-苯并呋喃的合成

  摘要：

  为了抑制生长，合成了具有末端am基或咪唑啉基的十个2-（苯氧基苯基）吲哚和四个2-（苯氧基苯基）-1-苯并呋喃。

  DOI：

  10.1002/jlac.198419840302
• 作为产物：
  描述：

  2-(4-溴-2-硝基苯基)丙二酸二甲酯 在 盐酸 作用下， 以 水 为溶剂， 以76 %的产率得到2-硝基-4-溴苯乙酸
  参考文献：
  名称：

  通过 SmI2 促进的 2-硝基苯乙酸还原合成羟吲哚

  摘要：

  首次报道了 SmI2 促进 2-硝基苯乙酸还原为羟吲哚的过程。该反应涉及硝基的还原，通过 N-O 键断裂并与邻近的羧基直接缩合进行。从合成的角度来看，开发了一种在温和中性条件下合成羟吲哚的新方法。

  DOI：

  10.1055/a-2175-1008

文献信息

• 3-heteroarylidene-2-indolinone protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06486185B1

  公开（公告）日：2002-11-26

  The present invention relates to novel 3-heteroarylidene-2-indolinone compounds and physiologically acceptable salts thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-杂环亚烯基-2-吲哚酮化合物及其生理上可接受的盐，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。
• Formulations for pharmaceutical agents ionizable as free acids or free bases
  申请人：Shenoy Narmada

  公开号：US06878733B1

  公开（公告）日：2005-04-12

  The present invention features formulations of indolinones which compounds are ionizable as free acids or free bases. The formulation is suitable for parenteral or oral administration, wherein the formulation comprises an ionizable substituted indolinone, and a pharmaceutically acceptable carrier therefor. The term “ionizable substituted indolinone” includes pyrrole substituted 2-indolinones which, in addition to being otherwise optionally substituted on both the pyrrole and 2-indolinone portions of the compound, are necessarily substituted on the pyrrole moiety with one or more hydrocarbon chains which themselves are substituted with at least one polar group. The formulations and the compounds themselves are useful for the treatment of protein kinase related disorders as discussed herein.

  本发明涉及吲哚酮的配方，这些化合物作为游离酸或游离碱是可离子化的。该配方适用于静脉或口服给药，其中配方包括可离子化的取代吲哚酮和其药用可接受载体。术语“可离子化的取代吲哚酮”包括吡咯取代的2-吲哚酮，除了在化合物的吡咯和2-吲哚酮部分上可选择地被取代外，必须在吡咯基上用一个或多个烃链取代，这些烃链本身被至少一个极性基团取代。如本文所述，这些配方和化合物本身对于治疗蛋白激酶相关疾病是有用的。
• Heterocyclic sulfonamide derivatives
  申请人：——

  公开号：US20030225127A1

  公开（公告）日：2003-12-04

  The present invention provides certain heterocyclic sulfonamide derivatives of formula (I): useful for potentiating glutamate receptor function in a patient and therefore, useful for treating a wide variety of conditions, such as psychiatric and neurological disorders.

  本发明提供了公式（I）的某些杂环磺胺衍生物：用于增强患者的谷氨酸受体功能，因此，用于治疗各种疾病，如精神疾病和神经系统疾病。
• 3-(cycloalkanoheteroarylidenyl)-2-indolinone protein tyrosine kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06350754B2

  公开（公告）日：2002-02-26

  The present invention relates to novel 3-(cycloalkano-heteroarylidenyl)-2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which are expected to modulate the activity of protein tyrosine kinases and therefore to be useful in the prevention and treatment of protein tyrosine kinase related cellular disorders such as cancer.

  本发明涉及新颖的3-(环烷基-杂环芳基亚亚甲基)-2-吲哚酮化合物及其生理上可接受的盐和前药，预计这些化合物可以调节蛋白酪氨酸激酶的活性，因此在预防和治疗蛋白酪氨酸激酶相关的细胞疾病，如癌症方面具有用处。
• Pyrrole substituted 2-indolinone protein kinase inhibitors
  申请人：Sugen, Inc.

  公开号：US06395734B1

  公开（公告）日：2002-05-28

  The present invention relates to novel pyrrole substituted 2-indolinone compounds and physiologically acceptable salts and prodrugs thereof which modulate the activity of protein kinases and therefore are expected to be useful in the prevention and treatment of protein kinase related cellular disorders such as cancer.

  本发明涉及新颖的吡咯替代的2-吲哚酮化合物及其生理上可接受的盐和前药，这些化合物调节蛋白激酶的活性，因此预计在预防和治疗蛋白激酶相关的细胞疾病，如癌症方面具有用处。