2-氯-4-硝基三氟甲苯 | 151504-80-2

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟甲苯系列
• 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-氯-4-硝基三氟甲苯
• 英文名称: 3-Chloro-4-trifluoromethyl-nitrobenzene
• 英文别名: 2-chloro-4-nitro-1-(trifluoromethyl)benzene；2-chloro-4-nitrobenzotrifluoride；2-chloro-4-nitrotrifluorotoluene；2-chloro-4-nitro-1-trifluoromethyl-benzene；2-Chlor-4-nitro-1-trifluormethyl-benzol
• CAS: 151504-80-2
• 化学式: C₇H₃ClF₃NO₂
• mdl: MFCD00171532
• 分子量: 225.555
• InChiKey: MOTWHSMEZCFDOD-UHFFFAOYSA-N

物化性质

• 沸点：
  247.4±40.0 °C(Predicted)
• 密度：
  1.511

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温条件下。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Chloro-4-nitrobenzotrifluoride
Synonyms: 2-Chloro-4-nitro-1-trifluoromethylbenzene

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
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.
Ingredient name: 2-Chloro-4-nitrobenzotrifluoride
CAS number: 151504-80-2

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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.

---

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: C7H3ClF3NO2
Molecular weight: 225.6

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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-氯-4-硝基三氟甲苯 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 反应 3.0h， 生成 4-氨基-2-氯三氟甲苯
  参考文献：
  名称：

  纳米铜固定在磁性石墨氮化碳核壳颗粒上的实验和量子化学研究；用于还原硝基芳烃的可重复使用的多相催化剂

  摘要：

  摘要 设计合成了一种具有核壳形貌的新型磁性材料CuFe2O4@SiO2@g-C3N4/Cu。有史以来第一次，碳和 g-C3N4 层的混合物被用作将 Cu 金属固定在催化剂上的有效连接剂。通过XRD、FT-IR、VSM、FE-SEM和TEM表征技术对催化剂的理化性质进行了鉴定。在 NaBH4 存在下，在 55 °C 的水中研究硝基化合物还原为相应的胺。量子化学研究表明，在 g-C3N4 层中加入 Cu 原子会通过改变键长和键序引起轻微的结构变形，而且 g-C3N4 的 Cu 原子和氮原子的相互作用类型主要是静电性质的.

  DOI：

  10.1016/j.molstruc.2019.02.065
• 作为产物：
  描述：

  2-氯-5-氨基三氟甲苯 在 水 、 硝酸 、 sodium hydroxide 、 sodium nitrite 作用下， 以 硫酸 、 溶剂黄146 为溶剂， 反应 14.0h， 生成 2-氯-4-硝基三氟甲苯
  参考文献：
  名称：

  一种3-氯-4-三氟甲基苯胺的制备方法

  摘要：

  本发明公开了一种3‑氯‑4‑三氟甲基苯胺的制备方法，所述制备方法包括如下步骤：(1)化合物(II)与醋酸酐反应生成化合物(III)；(2)化合物(III)经浓硫酸、硝酸硝化生成化合物(IV)；(3)化合物(IV)脱乙酰基生成化合物(V)；(4)化合物(V)与亚硝酸钠生成重氮盐，在次亚磷酸钠条件下重氮盐分解生成化合物(VI)；(5)化合物(VI)经还原反应生成化合物(I)。本发明制备方法的产率更高。

  公开号：

  CN115433093A

文献信息

• Conversion of Aromatic Amino into Trifluoromethyl Groups through a Sandmeyer­-Type Transformation
  作者：Jianbo Wang、Xi Wang、Yan Xu、Yujing Zhou、Yan Zhang

  DOI：10.1055/s-0033-1338659

  日期：——

  strategy for aromatic trifluoromethylation by converting amino into trifluoromethyl groups via a Sandmeyer-type reaction is reported. The transformation involves diazotization of the aromatic amines with tert-butyl nitrite and hydrochloric acid to form aryldiazonium chlorides, followed by trifluoromethylation with trifluoromethylsilver at low temperature. Various readily available aromatic amines are

  摘要 报道了通过Sandmeyer型反应将氨基转化为三氟甲基的芳香族三氟甲基化的新策略。该转化包括用亚硝酸叔丁酯和盐酸将芳族胺重氮化以形成芳基重氮氯化物，然后在低温下用三氟甲基银进行三氟甲基化。各种容易获得的芳族胺在温和条件下均能平稳转化。 报道了通过Sandmeyer型反应将氨基转化为三氟甲基的芳香族三氟甲基化的新策略。该转化包括用亚硝酸叔丁酯和盐酸将芳族胺重氮化以形成芳基重氮氯化物，然后在低温下用三氟甲基银进行三氟甲基化。各种容易获得的芳族胺在温和条件下均能平稳转化。
• Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses
  申请人：American Home Products Corporation

  公开号：US06335350B1

  公开（公告）日：2002-01-01

  Compounds of the formula: are useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpesvirus.

  该式化合物在治疗与疱疹病毒相关的疾病中很有用，包括人类巨细胞病毒、单纯疱疹病毒、EB病毒、水痘-带状疱疹病毒、人类疱疹病毒6和7，以及卡波西氏疱疹病毒。
• Diaminopuridine-containing thiourea inhibitors of herpes viruses
  申请人：American Home Products Corporation

  公开号：US06166028A1

  公开（公告）日：2000-12-26

  Compounds of the formula ##STR1## are useful in the treatment of diseases associated with herpes viruses including human cytomegalovirus, herpes simplex viruses, Epstein-Barr virus, varicella-zoster virus, human herpesviruses-6 and -7, and Kaposi herpesvirus.

  式为##STR1##的化合物在治疗与疱疹病毒相关的疾病中很有用，包括人类巨细胞病毒、单纯疱疹病毒、EB病毒、水痘-带状疱疹病毒、人类疱疹病毒-6和-7，以及卡波西氏疱疹病毒。
• 一种含氟三胺单体及其制备方法和应用
  申请人：湖北大学

  公开号：CN106083612B

  公开（公告）日：2018-02-23

  本发明属于有机化学及材料领域，具体涉及一种含氟三胺单体及其制备方法和应用。本发明以4‑羟基苯乙酮和2‑氯‑5‑硝基‑三氟甲苯为原料，经取代反应形成4‑(2‑三氟甲基‑5‑硝基苯氧基)‑苯乙酮，然后以乙醇和四氯化硅为复合催化剂，催化4‑(2‑三氟甲基‑5‑硝基苯氧基)‑苯乙酮发生缩合反应形成1,3,5‑三(4‑(2‑三氟甲基‑4‑硝基苯氧基))苯，最后以钯碳为催化剂，催化其还原得终产物1,3,5‑三(4‑(2‑三氟甲基‑4‑胺基苯氧基))苯，即含氟三胺单体，该含氟三胺单体结构新颖，是一种潜在的合成超支化含氟聚酰亚胺的单体，有极大的潜在研究和应用价值，其结构式如下所示：
• Diphenylamine derivative herbicides
  申请人：Shell Oil Company

  公开号：US04181519A1

  公开（公告）日：1980-01-01

  Compounds of the formula ##STR1## wherein X is halogen or (halo)alkyl; Y and Y.sub.1 are hydrogen, halogen or (halo)alkyl; Z is hydrogen, halogen, (halo)alkyl, (halo)alkoxy, (halo)alkylthio, (halo)alkylsulfinyl, (halo)alkylsulfonyl or amino; with the proviso that at least one of Y, Y.sub.1, and Z is other than hydrogen; and R.sup.1 is alkyl or an optionally substituted cyclopropyl group, are useful as herbicides.

  化合物的公式为##STR1## 其中X是卤素或(卤)烷基；Y和Y.sub.1是氢、卤素或(卤)烷基；Z是氢、卤素、(卤)烷氧基、(卤)烷硫基、(卤)烷基亚磺酰基、(卤)烷基磺酰基或氨基；但至少有一个Y、Y.sub.1和Z不是氢；R.sup.1是烷基或可选择取代的环丙基，可用作除草剂。