5-氯-2-甲基磺酰基硝基苯 | 2163-97-5

• 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: 5-氯-2-甲基磺酰基硝基苯
• 中文别名: 4-氯-1-(甲基磺酰基)-2-硝基苯；4-氯-1-甲磺酰基-2-硝基-苯；4-氯-2-硝基苯基二甲基砜；苯,4-氯-1-(甲基磺酰基)-2-硝基-
• 英文名称: (4-chloro-2-nitro-phenyl)-methyl sulfone
• 英文别名: (4-Chlor-2-nitro-phenyl)-methyl-sulfon；4-Chlor-2-nitro-1-methylsulfon-benzol；Methyl-(2-nitro-4-chlor-phenyl)-sulfon；Methyl-(4-chlor-2-nitro-phenyl)-sulfon；4-Chloro-2-nitrophenyl methyl sulfone；4-chloro-1-methylsulfonyl-2-nitrobenzene
• CAS: 2163-97-5
• 化学式: C₇H₆ClNO₄S
• mdl: MFCD09997080
• 分子量: 235.648
• InChiKey: RAXJLPRGSRMIGR-UHFFFAOYSA-N

物化性质

• 熔点：
  155-156 °C
• 沸点：
  410.5±45.0 °C(Predicted)
• 密度：
  1.520±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2904909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Chloro-1-methanesulfonyl-2-nitrobenzene
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-1-methanesulfonyl-2-nitrobenzene
CAS number: 2163-97-5

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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: C7H6ClNO4S
Molecular weight: 235.6

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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, sulfur 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：

  5-氯-2-甲基磺酰基硝基苯 生成 5-氯-2-(甲基磺酰基)苯胺
  参考文献：
  名称：

  US1939416

  摘要：

  公开号：
• 作为产物：
  描述：

  4-氯-2-硝基苯基硫氰酸酯 在 过氧乙酸 作用下， 以 溶剂黄146 为溶剂， 生成 5-氯-2-甲基磺酰基硝基苯
  参考文献：
  名称：

  与硝基亚硫氰酸酯和三烷基亚膦酸酯的反应

  摘要：

  DOI：

  10.1016/s0040-4020(01)93206-5

文献信息

• Organic sulfur compounds. V. The preparation of some benzothiazine hydroxamic acids
  作者：R. T. Coutts、Elizabeth M. Smith

  DOI：10.1139/v67-162

  日期：1967.5.1

  compounds of general structure V with sodium borohydride and palladium–charcoal. These precursors (V) were obtained by reacting methyl (o-nitrophenylthio)acetate and its simple derivatives with a variety of aryl aldehydes, in the presence of piperidine. Attempts to prepare the sulfones of V in a similar manner from methyl or ethyl (o-nitrobenzenesulfonyl)acetate were successful in two instances when

  2-亚芳基-3,4-二氢-4-羟基-3-氧代-2H-1,4-苯并噻嗪异羟肟酸（VI）最好通过还原α-（邻硝基苯硫基）肉桂酸酯和一般的相关化合物来制备。结构 V 与硼氢化钠和钯-木炭。这些前体 (V) 是通过（邻硝基苯硫基）乙酸甲酯及其简单衍生物与多种芳基醛在哌啶存在下反应获得的。当以无水甲醇或乙醇为溶剂时，尝试以类似方式从（邻硝基苯磺酰基）乙酸甲酯或乙酯制备 V 的砜在两种情况下是成功的。另一种反应，其中一分子醛与两分子（邻硝基苯磺酰基）乙酸酯缩合。(2-硝基苯磺酰基)乙酸甲酯和乙酯及其简单的环取代衍生物通过加热乙酸在含有哌啶的水溶液中的溶液顺利水解和脱羧。甲基对硝基苯砜同样...
• USE OF SUBSTITUTED SPIROCYCLIC SULFONAMIDOCARBOXYLIC ACIDS, CARBOXYLIC ESTERS THEREOF, CARBOXAMIDES THEREOF AND CARBONITRILES THEREOF OR SALTS THEREOF FOR ENHANCEMENT OF STRESS TOLERANCE IN PLANTS
  申请人：Frackenpohl Jens

  公开号：US20140038822A1

  公开（公告）日：2014-02-06

  Use of substituted spirocyclic sulfonamidocarboxylic acids, -carboxylic esters, -carboxamides and -carbonitriles or salts thereof for enhancement of stress tolerance in plants. The invention relates to the use of spirocyclic sulfonamidocarboxylic acids, -carboxylic esters, -carboxamides and -carbonitriles or salts thereof of the formula (I) in which the respective substituents have the meanings given in the description, for increasing stress tolerance in plants with respect to abiotic stress, and also for increasing plant growth and/or for increasing plant yield.

  使用取代的螺环磺酰胺羧酸、羧酸酯、羧酰胺和羰基腈或其盐来增强植物的耐逆性。本发明涉及使用式（I）中的螺环磺酰胺羧酸、羧酸酯、羧酰胺和羰基腈或其盐，其中各自的取代基在说明中给出，用于增强植物对非生物逆境的耐受性，以及增加植物生长和/或增加植物产量。
• Silver halide color photographic material
  申请人：FUJI PHOTO FILM CO., LTD.

  公开号：EP0394943A2

  公开（公告）日：1990-10-31

  A silver halide color photographic material comprising a support having thereon at least one silver halide emulsion layer, wherein the silver halide color photographic material contains an image forming compound represented by the following general formula (I): (Dye-X)q-Y      (I) wherein Dye represents a cyan dye group represented by the general formula (II) described below or a precursor thereof; X represents a chemical bond or a linking group; Y represents a group having a property of releasing Dye in correspondence or counter-corres­pondence to development of a light-sensitive silver salt having a latent image distributed imagewise and making a difference in diffusibility between the dye thus-­released and the compound represented by (Dye-X)q-Y; Dye and X are connected with each other by C or E in the general formula (II); and q represents an integer of 1 or 2, and when q is 2, the two groups (Dye-X) may be the same or different: wherein A represents a halogen atom, -OR¹ or -SR¹ (wherein R¹ represents an alkyl group, an aryl group or a heterocyclic group); B represents an electron withdrawing group having a Hammett's σp value of not less than 0.3; C represents a chemical bond, a hydrogen atom, an alkyl group, a cycloalkyl group, an aryl group, a halogen atom, -OR⁴, -CONR⁴R⁵, -SO₂NR⁴R⁵, -N(R³)-COR₄ or -N(R³) -SO₂R₄ (wherein R³, R⁴ and R⁵ each represents a hydrogen atom or a group selected from those defined for R¹, or R⁴ and R⁵ may combine with each other to form a 5-­membered or 6-membered ring); E represents a chemical bond, a hydrogen atom, an alkyl group, a halogen atom, -OR⁴, -CONR⁴R⁵, -SO₂NR⁴R⁵, -N(R⁵)-COR⁴ or -N(R⁵)-SO₂R⁴ (wherein R⁴ and R⁵ have the same meaning as defined above); and G represents a hydroxy group or a salt thereof, or a group selected from those represented by the formula (T), (U) or (V): wherein R²¹ and R²², which may be the same or different, each represents an alkyl group, a cycloalkyl group, an alkenyl group, an aralkyl group, an aryl group, a heterocyclic group, an alkylthio group, an arylthio group, an alkoxy group, an aryloxy group or an amino group, or R²¹ and R²² may combine with each other to form a 5-membered or 6-membered ring.

  一种卤化银彩色感光材料，包括一个支撑体，支撑体上至少有一层卤化银乳剂层，其中卤化银彩色感光材料含有由下式通式(I)表示的图像形成化合物： (Dye-X)q-Y (I) 其中，染料代表由下述通式（II）表示的青色染料基团或其前体；X 代表化学键或连接基团；Y 代表一种基团，该基团具有在显影时相应或反相应地释放染料的特性，该银盐具有按图像方向分布的潜像，并使由此释放的染料与（Dye-X）q-Y 所代表的化合物之间的扩散性不同；染料和 X 在通式(II)中通过 C 或 E 相互连接；q 代表 1 或 2 的整数，当 q 为 2 时，两个基团 (Dye-X) 可以相同或不同： 其中 A 代表卤素原子、-OR¹ 或 -SR¹（其中 R¹ 代表烷基、芳基或杂环基）； B 代表具有不小于 0.3;C 代表化学键、氢原子、烷基、环烷基、芳基、卤素原子、-OR⁴、-CONR⁴R⁵、-SO₂NR⁴R⁵、-N(R³)-COR₄或 -N(R³)-SO₂R₄（其中 R³、和 R⁵ 各代表一个氢原子或一个选自 R¹ 所定义的基团，或 R⁴ 和 R⁵ 可相互结合形成一个 5 元环或 6 元环）；E 代表化学键、氢原子、烷基、卤素原子、-OR⁴、-CONR⁴R⁵、-SO₂NR⁴R⁵、-N(R⁵)-COR⁴ 或 -N(R⁵)-SO₂R⁴（其中 R⁴ 和 R⁵ 的含义与上述定义相同）；G 代表羟基或其盐，或选自式 (T)、(U) 或 (V) 所代表的基团： 其中 R²¹ 和 R²²（可以相同或不同）各自代表烷基、环烷基、烯基、芳烷基、芳基、杂环基、烷硫基、芳硫基、烷氧基、芳氧基或氨基，或 R²¹ 和 R²² 可相互结合形成 5 元环或 6 元环。
• Substituted cyanoindoline derivatives as NIK inhibitors
  申请人：Janssen Pharmaceutica NV

  公开号：US11180487B2

  公开（公告）日：2021-11-23

  The present invention relates to pharmaceutical agents of formula (I) useful for therapy and/or prophylaxis in a mammal, and in particular to inhibitors of NF-κB-inducing kinase (NIK—also known as MAP3K14) useful for treating diseases such as cancer, inflammatory disorders, metabolic disorders and autoimmune disorders. The invention is also directed to pharmaceutical compositions comprising such compounds, and to the use of such compounds or pharmaceutical compositions for the prevention or treatment of diseases such as cancer, inflammatory disorders, metabolic disorders including obesity and diabetes, and autoimmune disorders.

  本发明涉及用于哺乳动物治疗和/或预防的式(I)药物制剂，特别是用于治疗癌症、炎症性疾病、代谢性疾病和自身免疫性疾病等疾病的NF-κB诱导激酶（NIK-又称MAP3K14）抑制剂。本发明还涉及包含此类化合物的药物组合物，以及使用此类化合物或药物组合物预防或治疗癌症、炎症性疾病、代谢紊乱（包括肥胖和糖尿病）和自身免疫性疾病等疾病。
• Zincke, Justus Liebigs Annalen der Chemie, 1918, vol. 416, p. 103
  作者：Zincke

  DOI：——

  日期：——