2-氟-4-氯-5-硝基苯胺 | 86988-02-5

• 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-氟-4-氯-5-硝基苯胺
• 中文别名: 4-氯-2-氟-5-硝基苯胺
• 英文名称: 4-chloro-2-fluoro-5-nitroaniline
• CAS: 86988-02-5
• 化学式: C₆H₄ClFN₂O₂
• mdl: MFCD04037232
• 分子量: 190.561
• InChiKey: WRULFQRXGSSDPQ-UHFFFAOYSA-N

物化性质

• 熔点：
  83.0-84.5 °C
• 沸点：
  325.9±37.0 °C(Predicted)
• 密度：
  1.591±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2921420090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-2-fluoro-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: 4-Chloro-2-fluoro-5-nitroaniline
CAS number: 86988-02-5

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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: C6H4ClFN2O2
Molecular weight: 190.6

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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 chloride, hydrogen fluoride.

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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-氟-4-氯-5-硝基苯胺 在 对甲苯磺酸 作用下， 以 1,1-二氯乙烷 、 异丙醚 为溶剂， 生成 5-chloro-2-[(4-chloro-2-fluoro-5-nitrophenyl)azo] pyridine
  参考文献：
  名称：

  EP1333031

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-2-氟苯胺 在 硝酸 作用下， 以 硫酸 为溶剂， 以86%的产率得到2-氟-4-氯-5-硝基苯胺
  参考文献：
  名称：

  Herbicidal 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles

  摘要：

  一种化学式为：##STR1## 的2-取代苯基-4,5,6,7-四氢-2H-吲唑化合物，其中X是氯原子或溴原子，Y是氧原子或亚硝基，Z是氯原子或甲基基团，R是C.sub.2 -C.sub.4烷基，C.sub.3 -C.sub.4烯基或C.sub.3 -C.sub.4炔基，可用作除草剂。

  公开号：

  US04670043A1

文献信息

• 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazoles, their production,
  申请人：Sumitomo Chemical Company Limited

  公开号：US04624699A1

  公开（公告）日：1986-11-25

  A 2-substituted phenyl-4,5,6,7-tetrahydro-2H-indazole compound of the formula: ##STR1## wherein X is a chlorine atom or a bromine atom, Y is an oxygen atom or an imino group, Z is a chlorine atom or a methyl group and R is a C.sub.1 -C.sub.6 alkoxycarbonylmethyl group, a C.sub.3 -C.sub.6 cycloalkoxycarbonylmethyl group or a C.sub.1 -C.sub.4 haloalkoxycarbonylmethyl group, which is useful as a herbicide.

  一种具有以下结构的2-取代苯基-4,5,6,7-四氢-2H-吲唑化合物：其中X是氯原子或溴原子，Y是氧原子或亚胺基，Z是氯原子或甲基基团，R是C.sub.1 -C.sub.6烷氧羰基甲基基团、C.sub.3 -C.sub.6环烷氧羰基甲基基团或C.sub.1 -C.sub.4卤代烷氧羰基甲基基团，可用作除草剂。
• Application of niclosamide and analogs as small molecule inhibitors of Zika virus and SARS-CoV-2 infection
  作者：Khalida Shamim、Miao Xu、Xin Hu、Emily M Lee、Xiao Lu、Ruili Huang、Pranav Shah、Xin Xu、Catherine Z. Chen、Min Shen、Hui Guo、Lu Chen、Zina Itkin、Richard T. Eastman、Paul Shinn、Carleen Klumpp-Thomas、Sam Michael、Anton Simeonov、Donald C. Lo、Guo-li Ming、Hongjun Song、Hengli Tang、Wei Zheng、Wenwei Huang

  DOI：10.1016/j.bmcl.2021.127906

  日期：2021.5

  focusing on the anilide and salicylic acid regions of niclosamide to improve physicochemical properties such as microsomal metabolic stability, permeability and solubility. We found that the 5-bromo substitution in the salicylic acid region retains potency while providing better drug-like properties. Other modifications in the anilide region with 2′-OMe and 2′-H substitutions were also advantageous

  寨卡病毒已成为全球人类健康的潜在威胁。之前的药物再利用筛选确定已批准的驱虫药氯硝柳胺是寨卡病毒感染的小分子抑制剂。然而，由于抗蠕虫药物通常设计为口服时吸收率较低，氯硝柳胺非常有限的生物利用度可能会阻碍其直接重新用作抗病毒药物。在这里，我们针对氯硝柳胺的苯胺和水杨酸区域进行了 SAR 研究，以改善微粒体代谢稳定性、渗透性和溶解性等理化性质。我们发现水杨酸区域的 5-溴取代保留了效力，同时提供了更好的药物样特性。具有 2'-OMe 和 2'-H 取代的苯胺区域的其他修饰也是有利的。我们发现4'-NO 2取代基可以被4'-CN或4'-CF 3取代基取代。总之，这些修饰为优化氯硝柳胺的结构提供了基础，以改善氯硝柳胺类似物作为治疗寨卡和其他病毒感染的药物先导候选药物的全身暴露。事实上，关键的类似物也能够将细胞从 SARS-CoV-2 感染的细胞病变效应中拯救出来，这表明与针对 COVID-19 大流行的治疗策略的相关性。
• 1- (3-Heterocyclylphenyl) isothiourea, -isourea, -guanidine and -amidine herbicidal agents
  申请人：American Cyanamid Co.

  公开号：US06303783B1

  公开（公告）日：2001-10-16

  There are provided 1-(3-heterocyclyphenyl)isothio-urea, -isourea, -guanidine and -amidine compounds of formula I Further provided are compositions and methods comprising those compounds for the control of undesirable plant species.

  提供了式I中的1-(3-杂环苯基)异硫脲、-异脲、-胍和-胺类化合物。此外，还提供了包含这些化合物的组合物和方法，用于控制不良植物物种。
• 1-(3-Heterocyclylphenyl)isothiourea, -isourea, -guanidine and -amidine compounds as herbicides
  申请人：American Cyanamid Company

  公开号：EP0985670A1

  公开（公告）日：2000-03-15

  There are provided 1-(3-heterocyclyphenyl)isothiourea, -isourea, -guanidine and -amidine compounds of formula I Further provided are compositions and methods comprising those compounds for the control of undesirable plant species.

  提供了式I的1-(3-杂环苯基)异硫脲、-异脲、-胍和-胺类化合物。还提供了包含这些化合物的组合物和方法，用于控制不良植物物种。
• Aminoaryl-1,3-oxazine-2,4-diones
  申请人：Bayer Aktiengesellschaft

  公开号：US05593944A1

  公开（公告）日：1997-01-14

  The invention relates to new aminoaryl-1,3-oxazine-2,4-diones of the general formula (I) ##STR1## in which A, Q, R.sup.1, R.sup.2, R.sup.3, R.sup.4, R.sup.5, R.sup.6 and R.sup.7 have the meanings given in the description, to processes for their preparation, to new intermediates, and to their use as herbicides.

  本发明涉及一种新的氨基芳基-1,3-噁唑-2,4-二酮，其一般式为(I) ##STR1## 其中A、Q、R.sup.1、R.sup.2、R.sup.3、R.sup.4、R.sup.5、R.sup.6和R.sup.7在说明书中所给出的含义，以及它们的制备方法、新的中间体和它们作为除草剂的用途。