2,3-二甲基-4-硝基苯胺 | 80879-86-3

• 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: 2,3-二甲基-4-硝基苯胺
• 中文别名: 2,3-二氯硝基苯；2.3-二甲基-4-硝基苯胺
• 英文名称: 2,3-dimethyl-4-nitroaniline
• 英文别名: dimethyl-4-nitroaniline；2,3-dimethyl-4-nitro-aniline；2,3-Dimethyl-4-nitro-anilin；6-Nitro-3-amino-o-xylol；p-Nitro-o-xylidin；2,3-dimethyl-4-nitro-benzenamine
• CAS: 80879-86-3
• 化学式: C₈H₁₀N₂O₂
• mdl: MFCD00130024
• 分子量: 166.18
• InChiKey: XXIWYZBTCKMAMY-UHFFFAOYSA-N

物化性质

• 熔点：
  116-117℃
• 沸点：
  350.4±37.0 °C(Predicted)
• 密度：
  1.220±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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,P310
• 危险性描述：
  H302,H315,H319,H332,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,3-Dimethyl-4-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: 2,3-Dimethyl-4-nitroaniline
CAS number: 80879-86-3

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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: C8H10N2O2
Molecular weight: 166.2

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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.

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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：

  2,3-二甲基-4-硝基苯胺 在 盐酸 、 二氧化硫 、 sodium carbonate 、 copper dichloride 、 sodium nitrite 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 sodium;2,3-dimethyl-4-nitrobenzenesulfonate
  参考文献：
  名称：

  Kanetani, Fujio; Yamaguchi, Hachiro, Bulletin of the Chemical Society of Japan, 1981, vol. 54, # l0, p. 3048 - 3058

  摘要：

  DOI：
• 作为产物：
  描述：

  2,3-二甲基-4-硝基乙酰苯胺 在 硫酸 作用下， 以 水 为溶剂， 反应 1.0h， 以1.1 g的产率得到2,3-二甲基-4-硝基苯胺
  参考文献：
  名称：

  脲连接的芳族低聚物的设计与合成-通往褶皱的折叠剂的途径

  摘要：

  本文中，我们报告了月牙形和螺旋形脲基折叠剂的设计和合成，其曲率通过改变组成构件及其连通性来控制。这些低聚物是由两个，三个或五个交替的芳族杂环（哒嗪，嘧啶或吡嗪）和甲基取代的芳族碳环（甲苯基，的ø -二甲苯或米-二甲苯基）通过尿素键连接在一起。基于分子内氢键和空间相互作用，在这些π-共轭尿素连接的低聚物中编码月牙形构型偏好。曲率的程度由与杂环和芳基的尿素连接性来调节。这些折叠剂的NMR表征证实了溶液中哒嗪和嘧啶折叠剂中预期的分子内氢键构象（脲键的Z，E构型）。所述的X射线晶体结构Ñ 3，Ñ 6 -diisobutylpyridazine -4,6-二胺- ö甲苯基脲联foldamer（4）确认N的存在杂环氮原子和脲键的游离氢之间H⋅⋅⋅N氢键。另外，甲苯基甲基与脲羰基氧不利地相互作用，因此使交替的平面构象不稳定。

  DOI：

  10.1002/chem.200901094

文献信息

• Substituted 2-arylimino heterocycles and compositions containing them, for use as progesterone receptor binding agents
  申请人：Bayer Corporation

  公开号：US06353006B1

  公开（公告）日：2002-03-05

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  这项发明涉及2-芳基亚胺杂环化合物，包括2-芳基亚胺-1,3-噻唑啉、2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪、2-芳基亚胺-1,3-噻唑啉-4-酮、2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这类治疗的药物组合物。
• Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents
  申请人：——

  公开号：US20030207865A1

  公开（公告）日：2003-11-06

  This invention relates to 2-arylimino heterocycles, including 2-arylimino-1,3-thiazolidines, 2-arylimino-2,3,4,5-tetrahydro-1,3-thiazines, 2-arylimino-1,3-thiazolidin-4-ones, 2-arylimino-1,3-thiazolidin-5-ones, and 2-arylimino-1,3-oxazolidines, and their use in modulating progesterone receptor mediated processes, and pharmaceutical compositions for use in such therapies.

  本发明涉及2-芳基亚胺杂环，包括2-芳基亚胺-1,3-噻唑啉，2-芳基亚胺-2,3,4,5-四氢-1,3-噻嗪，2-芳基亚胺-1,3-噻唑啉-4-酮，2-芳基亚胺-1,3-噻唑啉-5-酮和2-芳基亚胺-1,3-噁唑啉，以及它们在调节孕激素受体介导的过程中的应用，以及用于这种治疗的制药组合物。
• Verfahren zur Herstellung von Acetoacetylarylamiden bzw. -heteroarylamiden desaktivierter Aromaten
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0280156A2

  公开（公告）日：1988-08-31

  Verfahren zur Herstellung von Acetoacetylarylamiden bzw. -heteroarylamiden desaktivierter Aromaten bzw. Heteroaromaten, indem man 1 Mol eines Amins der Formel in welcher X und Y je CH bedeuten oder eines der beiden Ringglieder X und Y ein Stickstoffatom darstellt, R ein Wasserstoff- oder Halogenatom, eine Alkyl-, β-Hydroxyethyl-, Benzyl- oder ggfs. substituierte Phenylgruppe und A einen annellierten Benzolring bedeuten, wobei der isocyclische bzw. heterocyclische Sechsring durch 1 oder 2 weitere Substituenten substituiert ist und der Benzolring A durch 1 bis 3 Substituenten substituiert sein kann, mit 1 bis 1,2 Mol Diketen bei Temperaturen von 20 bis 100°C in Eisessig in Gegenwart von 1 bis 20 Molprozent eines basischen Katalysators, wie tertiäres Amin, Fluorid, Acetat, Trifluormethansulfonat, Trifluoracetat, Benzoat, o-, m-, p-AlkylC₁-C₄ benzoat, o-, m-, p-AlkoxyC₁-C₄ benzoat oder o-, m-, p-Di(alkylC₁-C₄ amino)-benzoat, bezogen auf das Amin, umsetzt, wobei der Substituent -H in die Gruppe --CO-CH₂-CO-CH₃ überführt wird.

  分别通过使 1 摩尔式胺反应制备失活芳香族或杂芳香族的乙酰乙酰芳酰胺或-杂芳酰胺的方法 其中 X 和 Y 分别代表 CH 或两个环成员 X 和 Y 中的一个代表氮原子，R 代表氢原子或卤素原子、烷基、β-羟乙基、苄基或任选取代的苯基，A 代表融合苯环、异环或杂环的六元环。用 1 至 1.2 摩尔二乙烯，在 20 至 100°C 的冰醋酸中，在 1 至 20 摩尔%的碱性催化剂存在下，在 20 至 100°C 的温度下进行反应、例如叔胺、氟化物、乙酸盐、三氟甲磺酸盐、三氟乙酸盐、苯甲酸盐、邻、间、对烷基 C₁-C₄ 苯甲酸盐、邻、间、对烷氧基 C₁-C₄ 苯甲酸盐或邻、间、对二(烷基 C₁-C₄ 氨基)-苯甲酸盐，基于以下条件 其中取代基 -H 属于以下基团 --CO-CH₂-CO-CH₃转换。
• ETHYLENE-BASE COPOLYMERS, PROCESS FOR PRODUCING THE SAME AND LUBRICATING OIL COMPOSITIONS CONTAINING THE SAME
  申请人：IDEMITSU PETROCHEMICAL CO., LTD.

  公开号：EP1270615A1

  公开（公告）日：2003-01-02

  There are disclosed an ethylenic copolymer comprising ethylene and an α -olefin in which diad chain distribution [EA] of ethylene [E] and α-olefin [A] as determined by the nuclear magnetic resonance spectrum method (13C-NMR method) and ethylene content α (mol%) as determined by nuclear magnetic resonance spectrum satisfy the following relational expressions (1) and (2):0.7-2.8(0.5- α /100) 2 - 0.25(0.5- α /100) ≦ [EA] ≦ 2 α /100 (|   | represents the absolute value)10≦ α ≦ 90 and in which the α-olefin has 3 to 20 carbon atoms; a process for producing the ethylenic copolymer and a lubricating oil composition comprising the same. Specifically the present invention provides the ethylenic copolymer which is imparted simultaneously with a high viscosity index and low pour point and accordingly, and is usable as a useful lubricating oil composition, when used alone as base oil for a lubricating oil, or as a viscosity index improver for another base oil; the process for producing the ethylenic copolymer; and the lubricating oil composition comprising the same.

  本发明公开了一种由乙烯和α-烯烃组成的乙烯共聚物，其中通过核磁共振波谱法（13C-NMR 法）测定的乙烯[E]和α-烯烃[A]的二元链分布[EA]以及通过核磁共振波谱测定的乙烯含量α（mol%）满足以下关系式（1）和（2）：0.7-2.8(0.5- α /100) 2 - 0.25(0.5- α /100) ≦ [EA] ≦ 2 α /100 (||代表绝对值)10≦ α ≦ 90，且其中α-烯烃具有 3 至 20 个碳原子；一种生产乙烯共聚物的工艺和一种包含该乙烯共聚物的润滑油组合物。具体地说，本发明提供了乙烯基共聚物，该共聚物同时具有高粘度指数和低倾点，因此在单独用作润滑油的基础油或用作另一种基础油的粘度指数改进剂时，可用作有用的润滑油组合物；生产乙烯基共聚物的工艺；以及包含该共聚物的润滑油组合物。
• Ethylene-base copolymers, process for producing the same and lubricating oil compositions containing the same
  申请人：——

  公开号：US20030087773A1

  公开（公告）日：2003-05-08

  There are disclosed an ethylenic copolymer comprising ethylene and an &agr;-olefin in which diad chain distribution [EA] of ethylene [E] and &agr;-olefin [A] as determined by the nuclear magnetic resonance spectrum method ( 13 C-NMR method) and ethylene content a (mol %) as determined by nuclear magnetic resonance spectrum satisfy the following relational expressions (1) and (2): 0.7−2.8(0.5−&agr;/100) 2 −|0.25(0.5−&agr;/100)|≦[EA]≦2&agr;/100  (1) (| | represents the absolute value) 10≦&agr;≦90  (2) and in which the &agr;-olefin has 3 to 20 carbon atoms; a process for producing the ethylenic copolymer and a lubricating oil composition comprising the same. Specifically the present invention provides the ethylenic copolymer which is imparted simultaneously with a high viscosity index and low pour point and accordingly, and is usable as a useful lubricating oil composition, when used alone as base oil for a lubricating oil, or as a viscosity index improver for another base oil; the process for producing the ethylenic copolymer; and the lubricating oil composition comprising the same.

  本发明公开了一种乙烯共聚物，它由乙烯和烯烃组成，其中乙烯[E]和烯烃[A]的二元链分布[EA]由核磁共振波谱法测定 ( 13 核磁共振谱测定的乙烯含量 a (mol %) 满足以下关系式 (1) 和 (2)： 0.7−2.8(0.5−&agr;/100) 2 −|0.25(0.5−&agr;/100)|≦[EA]≦2&agr;/100  (1) (||代表绝对值) 10≦&agr;≦90 (2) 其中&agr;-烯烃具有 3 至 20 个碳原子；一种生产该乙烯共聚物的工艺和一种包含该乙烯共聚物的润滑油组合物。具体地说，本发明提供了乙烯基共聚物，该乙烯基共聚物同时具有高粘度指数和低倾点，因此在单独用作润滑油的基础油或用作另一种基础油的粘度指数改进剂时，可用作有用的润滑油组合物；乙烯基共聚物的生产工艺；以及包含该乙烯基共聚物的润滑油组合物。