4-肼基-3-硝基-苯甲腈 | 124839-61-8

• 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: 4-肼基-3-硝基-苯甲腈
• 英文名称: 4-hydrazino-3-nitro-benzonitrile
• 英文别名: 4-Hydrazino-3-nitro-benzonitril；2-Nitro-4-cyan-phenylhydrazin；4-cyano-2-nitrophenylhydrazine；4-Hydrazinyl-3-nitrobenzonitrile
• CAS: 124839-61-8
• 化学式: C₇H₆N₄O₂
• mdl: MFCD00051699
• 分子量: 178.15
• InChiKey: SGRPQDRZWGJVTA-UHFFFAOYSA-N

物化性质

• 熔点：
  221 °C(Solv: ethanol (64-17-5))
• 沸点：
  355.9±37.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2928000090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Hydrazinyl-3-nitrobenzonitrile
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-Hydrazinyl-3-nitrobenzonitrile
CAS number: 124839-61-8

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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: C7H6N4O2
Molecular weight: 178.1

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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：

  4-肼基-3-硝基-苯甲腈 在 alkaline solution 作用下， 生成 3-hydroxy-3H-benzotriazole-5-carbonitrile
  参考文献：
  名称：

  Mattaar, Recueil des Travaux Chimiques des Pays-Bas, 1922, vol. 41, p. 36

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-3-硝基苯甲腈 在 乙醇 、 一水合肼 作用下， 生成 4-肼基-3-硝基-苯甲腈
  参考文献：
  名称：

  Mattaar, Recueil des Travaux Chimiques des Pays-Bas, 1922, vol. 41, p. 36

  摘要：

  DOI：

文献信息

• Aminolysis of 2,2-difluoro-4-alkoxy-1,3,2-dioxaborinanes: route to β-keto amides and β-enamino carboxamides
  作者：Bogdan Štefane、Slovenko Polanc

  DOI：10.1016/j.tet.2007.08.085

  日期：2007.11

  4-Alkoxy substituted 1,3,2-dioxaborinanes 1, readily available from β-keto esters, undergo substitution reactions under mild reaction conditions with primary and secondary amines, deriving the 4-alkylamino analogue 2. Reactions of 1 with substituted phenylhydrazines gave the corresponding hydrazones, or pyrazolones, and 5-alkoxy-1H-pyrazoles as a mixture of products.

  4-烷氧基取代的1,3,2-二氧杂硼烷酮1易得自β-酮酯，在温和的反应条件下与伯胺和仲胺进行取代反应，得到4-烷基氨基类似物2。1与取代的苯肼的反应得到相应的或吡唑啉酮，以及作为产物混合物的5-烷氧基-1 H-吡唑。
• A New Regio- and Chemoselective Approach to β-Keto Amides and β-Enamino Carboxamides via 1,3,2-Dioxaborinanes
  作者：Bogdan Štefane、Slovenko Polanc

  DOI：10.1055/s-2003-817787

  日期：——

  Surprisingly, 5,6-disubstituted 2,2-difluoro-4-alkoxy-1,3,2-dioxaborinanes, which can be easily obtained from β-keto ­esters, reacted regio- and chemoselectively with amines under mild reaction conditions to form 2,2-difluoro-4-alkylamino-1,3,2-di­oxaborinanes in almost quantitative yields. The latter compounds can be easily deprotected, yielding β-keto amides, or directly transformed into β-enamino carboxamides. This procedure was also applied to the reaction of 2,2-difluoro-4-alkoxy-1,3,2-dioxaborinanes with arylhydrazines which selectively afforded β-hydrazono esters, in some cases without further cyclization to pyrazolones.

  令人惊讶的是，5,6-二取代的2,2-二氟-4-烷氧基-1,3,2-二氧硼烷（可从β-酮酯容易地获得）在温和反应条件下与胺区域选择性和化学选择性地反应，几乎定量地生成2,2-二氟-4-烷氨基-1,3,2-二氧硼烷。后者的化合物可以容易地脱保护，生成β-酮酰胺，或直接转化为β-烯胺甲酰胺。这一过程也适用于2,2-二氟-4-烷氧基-1,3,2-二氧硼烷与芳基肼的反应，选择性地得到了β-腙酯，在某些情况下无需进一步环化成吡唑啉酮。
• Diuretic and saluretic 4-chloro-3-sulfamoylbenzoic acid hydrazides
  申请人：Chinoin Gyogyszer es Vegyeszeti Termekek Gyara Rt.

  公开号：US04916149A1

  公开（公告）日：1990-04-10

  The present invention relates to novel compounds of the general formula ##STR1## wherein R is hydrogen atom or a trifluoromethyl, carboxy, C.sub.2-5 alkoxycarbonyl, cyano, benzoyl, sulfamoyl or C.sub.1-4 alkylsulfonyl group; R.sup.1 is hydrogen atom or a linear or branched chain C.sub.1-4 alkyl, C.sub.1-4 alkylthio, C.sub.1-4 alkylsulfonyl, benzylthio, benzylsulfonyl, phenyl, hydroxy or mercapto group; and R.sup.2 is hydrogen or chlorine atom, as well as their pharmaceutically acceptable salts. The compounds according to the invention possess diuretic and saluretic activity with an advantageous Na/K ratio.

  本发明涉及一般式##STR1##的新化合物，其中R是氢原子或三氟甲基、羧基、C.sub.2-5烷氧羰基、氰基、苯甲酰基、磺胺基或C.sub.1-4烷基磺酰基；R.sup.1是氢原子或直链或支链C.sub.1-4烷基、C.sub.1-4烷基硫基、C.sub.1-4烷基磺酰基、苄硫基、苄磺酰基、苯基、羟基或巯基；R.sup.2是氢或氯原子，以及它们的药用盐。根据本发明的化合物具有利于Na/K比的利尿和排盐活性。
• 4-Chlor-3-sulfamoyl-benzoesäure-hydrazide, Verfahren zu ihrer Herstellung, diese Verbindungen enthaltende Arzneimittelpräparate und Verwendung der neuen Verbindungen zur Herstellung von diuretischen und salzentziehend wirkenden Arzneimittelpräparaten
  申请人：CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT.

  公开号：EP0324988A1

  公开（公告）日：1989-07-26

  Die erfindungsgemäßen neuen Verbindungen entsprechen der allgemeinen Formel I worin R für Wasserstoff, Trifluormethyl-, Carboxylgruppe, Alkoxy­carbonylgruppe mit 2-5 Kohlenstoffatomen, Cyano-, Benzoyl-, Sulfamoylgruppe oder Alkylsulfonylgruppe mit 1-4 Kohlen­stoffatomen, R¹ für Wasserstoff, Alkylthio- oder Alkylsulfonylgruppe mit jeweils 1-4 Kohlenstoffatomen, gerade oder verzweigte Alkylgruppe mit 1-4 Kohlenstoffatomen, Benzylthio-, Benzylsulfonyl-, Phenyl-, Hydroxyl- oder Thiolgruppe und R² für Wasserstoff oder Chlor steht. Die neuen Verbindung sind diuretisch und saluretisch aktiv und weisen eine blutdrucksenkende Wirkung auf.

  根据本发明的新化合物符合通式 I 其中 R 代表氢、三氟甲基、羧基、具有 2-5 个碳原子的烷氧羰基、氰基、苯甲酰基、氨基磺酰基或具有 1-4 个碳原子的烷基磺酰基、 R¹ 代表氢、各具有 1-4 个碳原子的烷硫基或烷基磺酰基、具有 1-4 个碳原子 的直链或支链烷基、苄硫基、苄基磺酰基、苯基、羟基或硫醇基，以及 R² 代表氢或氯。 新化合物具有利尿和利盐活性，并有降血压作用。
• Borsche, Chemische Berichte, 1923, vol. 56, p. 1490
  作者：Borsche

  DOI：——

  日期：——