N-乙基-2-硝基-4-三氟甲基苯胺 | 30377-62-9

• 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: N-乙基-2-硝基-4-三氟甲基苯胺
• 中文别名: N-乙基-2-硝基-4-(三氟甲基)苯胺
• 英文名称: N-ethyl-2-nitro-4-(trifluoromethyl)aniline
• 英文别名: 3-nitro-4-ethylamino-benzotrifluoride；N-Aethyl-4-trifluormethyl-2-nitroanilin；N-Ethyl-2-nitro-4-trifluormethylanilin；N-Ethyl-4-trifluormethyl-2-nitroanilin
• CAS: 30377-62-9
• 化学式: C₉H₉F₃N₂O₂
• mdl: MFCD00044178
• 分子量: 234.178
• InChiKey: XGYBRXYMSSZKPY-UHFFFAOYSA-N

物化性质

• 熔点：
  59.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  278.6±40.0 °C(Predicted)
• 密度：
  1.371±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2921420090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: N-Ethyl-2-nitro-4-trifluoromethylaniline
Synonyms: N-Ethyl-2-nitro-4-(trifluoromethyl)aniline

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: N-Ethyl-2-nitro-4-trifluoromethylaniline
CAS number: 30377-62-9

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C9H9F3N2O2
Molecular weight: 234.2

---

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 fluoride.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-乙基-2-硝基-4-三氟甲基苯胺 在 palladium 10% on activated carbon 甲酸 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.92h， 生成 1-ethyl-3-(4-methoxyphenyl)-7-(trifluoromethyl)-5H-1,5-benzodiazepine-2,4-dione
  参考文献：
  名称：

  [EN] DERIVATIVES OF L-PLIENYL-1.5-DILIYDIO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION
  [FR] DÉRIVÉS DE 1-PHÉNYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZÉPINE-2.4-DIONE EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIH

  摘要：

  公开号：

  WO2011100838A9
• 作为产物：
  描述：

  乙胺盐酸盐 、 4-氯-3-硝基三氟甲苯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 N-乙基-2-硝基-4-三氟甲基苯胺
  参考文献：
  名称：

  [EN] DERIVATIVES OF L-PLIENYL-1.5-DILIYDIO-BENZO[B] [1.4]DIAZEPINE-2.4-DIONE AS INHIBITORS OF HIV REPLICATION
  [FR] DÉRIVÉS DE 1-PHÉNYL-1,5-DIHYDRO-BENZO[B] [1.4]DIAZÉPINE-2.4-DIONE EN TANT QU'INHIBITEURS DE LA RÉPLICATION DU VIH

  摘要：

  公开号：

  WO2011100838A9

文献信息

• Novel fluorine-containing benz-azole derivatives, process for their
  申请人：Hoechst Aktiengesellschaft

  公开号：US04263441A1

  公开（公告）日：1981-04-21

  Compounds of the general formula ##STR1## in which X represents a trifluoromethyl group or a fluorine atom, n is 1 or 2, Z is an oxygen atom or a NR grouping, in which R is hydrogen or an optionally substituted alkyl group, the benzo rings optionally containing further nonchromophoric substituents. These compounds may be prepared by reacting the dichloride of 1,4-naphthalene-dicarboxylic acid with 2 mols of an o-aminophenol or of an o-nitroaniline and by subsequently cyclizing the acylamino compound obtained. The products are suitable as optical brighteners.

  一般式为##STR1##的化合物，其中X代表三氟甲基基团或氟原子，n为1或2，Z为氧原子或NR基团，其中R为氢或可选取代的烷基，苯环可选含有进一步的非色团取代基。这些化合物可以通过将1,4-萘二甲酸二氯化物与2摩尔的邻氨基酚或邻硝基苯胺反应，并随后环化得到酰胺化合物制备。该产品适用于光亮增白剂。
• Neue fluorhaltige Benz-azol-Derivate, Verfahren zu ihrer Herstellung und ihre Verwendung als optische Aufheller
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0002030A1

  公开（公告）日：1979-05-30

  Verbindungen der allgemeinen Formel in welcher X eine Trifluormethylgruppe oder ein Fluoratom, n 1 oder 2, Z ein Sauerstoffatom oder eine NR-Gruppierung bedeutet, in der R Wasserstoff oder eine ggf. substituierte Alkylgruppe ist, wobei in den Benzoringen noch weitere nicht chromophore Substituenten vorhanden sein können. Diese Verbindungen können hergestellt werden durch Umsetzung des Dichlorids der 1,4-Naphthalin-dicarbonsäure mit 2 Mol eines o-Aminophenols oder eines o-Nitroanilins und anschließende Cyclisierung der erhaltenen Acylamino-Verbindung. Die Produkte eignen sich als optische Aufheller.

  通式如下的化合物 其中 X 为三氟甲基或氟原子，n 为 1 或 2，Z 为氧原子或 NR 基团，其中 R 为氢或任选取代的烷基，苯环中可能存在更多的非色素取代基。这些化合物的制备方法是：将 1,4-萘二羧酸的二氯化物与 2 摩尔邻氨基苯酚或邻硝基苯胺反应，然后将生成的酰氨基化合物环化。这些产品可用作光学增白剂。
• Cosmetic and personal care compositions
  申请人：Unilever Home & Personal Care USA, Division of Conopco, Inc.

  公开号：US20020176834A1

  公开（公告）日：2002-11-28

  Cosmetic or personal care compositions comprise: a hair styling polymer having one or more groups selected from acidic functional groups, anionic groups derived from the acidic functional groups or a mixture of said groups; a partially or fully fluorinated compound having one or more groups selected from amino groups, acid salts of the amino groups or a mixture of said groups, wherein the partially or fully fluorinated compound comprises an aromatic ring; and a cosmetically acceptable diluent or carrier. The compositions are particularly effective under high humidity conditions.

  化妆品或个人护理组合物包括：具有一个或多个基团的头发定型聚合物，这些基团选自酸性官能团、酸性官能团衍生的阴离子基团或上述基团的混合物；具有一个或多个基团的部分或完全氟化化合物，这些基团选自氨基基团、氨基基团的酸式盐或上述基团的混合物，其中部分或完全氟化化合物包含一个芳香环；以及化妆品可接受的稀释剂或载体。这些组合物在高湿度条件下尤其有效。
• Derivatives of 1-Phenyl-1,5-Dihydro-Benzo[B] [1,4]Diazepine-2,4-Dione as Inhibitors of HIV Replication
  申请人：Simoneau Bruno

  公开号：US20130150350A1

  公开（公告）日：2013-06-13

  Compounds of formula (I) wherein m, R 1 , R 2 , R 3 , X and Y are defined herein, are useful as inhibitors of HIV replication.
• US4263441A
  申请人：——

  公开号：US4263441A

  公开（公告）日：1981-04-21