1,3-二氧代-2,3-二氢-1H-异吲哚-5-羧酸 | 20262-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 中文名称: 1,3-二氧代-2,3-二氢-1H-异吲哚-5-羧酸
• 英文名称: 11,3-dioxoisoindoline-5-carboxylic acid
• 英文别名: trimellitimide；4-carboxyphthalic anhydride；4-carboxyphthalimide；1,3-dioxisoindoline-5-carboxylic acid；2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxylic acid；1,3-dioxo-1,3-dihydro-isoindole-5-carboxylic acid；1,3-dioxo-isoindoline-5-carboxylic acid；1,3-Dioxo-isoindolin-5-carbonsaeure；1H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-；1,3-dioxoisoindole-5-carboxylic acid
• CAS: 20262-55-9
• 化学式: C₉H₅NO₄
• mdl: MFCD00462255
• 分子量: 191.143
• InChiKey: ARRQNZZBVOIEQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  255-257 °C
• 密度：
  1.591±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.5
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2925190090
• WGK Germany：
  3

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 4-Carboxyphthalimide
Synonyms: 1,3-Dioxo-2H-isoindole-5-carboxylic acid

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
P273: Avoid release to the environment
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Carboxyphthalimide
CAS number: 20262-55-9

---

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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
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.

---

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: C9H5NO4
Molecular weight: 191.1

---

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.

---

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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (4-Carboxyphthalimide)

---

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：

  1,3-二氧代-2,3-二氢-1H-异吲哚-5-羧酸 在 氯化亚砜 、 氨 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 3,4-dicyanobenzoic acid
  参考文献：
  名称：

  JP5906522

  摘要：

  公开号：
• 作为产物：
  描述：

  1,2,4-苯三甲酸 在 氨 作用下， 以 水 为溶剂， 250.0 ℃ 、1.87 kPa 条件下， 反应 6.5h， 生成 1,3-二氧代-2,3-二氢-1H-异吲哚-5-羧酸
  参考文献：
  名称：

  Suvorov, B. V.; Aitzhanova, S. A.; Kudinova, V. S., Journal of applied chemistry of the USSR, 1981, vol. 54, # 4, p. 794 - 798

  摘要：

  DOI：

文献信息

• OBSCURANT COMPOSITIONS
  申请人：LOMBARDI JOHN L.

  公开号：US20180016202A1

  公开（公告）日：2018-01-18

  An enhanced pyrotechnic composition including an obscurant, a fuel, an oxidizer, and a nonivamide-cyclic anhydride adduct.

  一种增强型烟火组合物，包括烟雾剂、燃料、氧化剂和辛烷酰胺-环酸酐加合物。
• 2-aminobenzoxazole derivatives and combinatorial libraries thereof
  申请人：——

  公开号：US20020161028A1

  公开（公告）日：2002-10-31

  The present invention relates to novel 2-aminobenzoxazole derivative compounds of the following formula: 1 wherein R 1 to R 4 and Z have the meanings provided herein. The invention further relates to combinatorial libraries containing two or more such compounds, as well as methods of preparing 2-aminobenzoxazole derivative compounds.

  本发明涉及以下式子的新型2-氨基苯并噁唑衍生物化合物：其中R1至R4和Z具有本文所提供的含义。本发明还涉及包含两种或更多这类化合物的组合式库，以及制备2-氨基苯并噁唑衍生物化合物的方法。
• An expedient and convenient approach for one-pot synthesis of 1<i>H-</i>isoindole-1,3(2<i>H</i>)-diones
  作者：Zeinab Ekhtiari、Forugh Havasi、Farzad Nikpour

  DOI：10.1515/znb-2016-0060

  日期：2016.9.1

  Abstract An easy and expedient method for the one-pot synthesis of 1H-isoindole-1,3(2H)-diones has been developed by the reaction of the corresponding cyclic anhydrides with guanidinium chloride as a nitrogen source in the presence of FeCl3 as a catalyst under mild reaction conditions.

  摘要 通过相应的环状酸酐与作为氮源的氯化胍在 FeCl3 存在下反应，开发了一种简单方便的一锅法合成 1H-isoindole-1,3(2H)-二酮。温和的反应条件下的催化剂。
• Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof
  申请人：MAILLIET Patrick

  公开号：US20080153837A1

  公开（公告）日：2008-06-26

  This invention relates to derivatives of 4-(benzimidazol-2-yl)fluorene and 4-(azabenzimidazol-2-yl)fluorene, to pharmaceutical compositions comprising such derivatives, and to methods of treatment of disorders related to Hsp90 protein activity, comprising administering such derivatives.

  这项发明涉及4-(苯并咪唑-2-基)芴和4-(氮杂苯并咪唑-2-基)芴的衍生物，涉及包含这些衍生物的药物组合物，以及涉及治疗与Hsp90蛋白活性相关的疾病的方法，包括给予这些衍生物。
• 5-Hydroperoxycarbonylphthalimide: a new reagent for epoxidation
  作者：Alun P. James、J. Phillip Sankey、Alun P. James、Robert A. W. Johnstone、Moya McCarron、Brian Trenbirth

  DOI：10.1039/a708179k

  日期：——

  Peroxycarboxylic acids, widely used for epoxidation in industry and general research, have various drawbacks, such as difficulty of preparation in a pure state, cost and the possibly ring-opening of the product epoxides due to acid-catalysed reactions; a new reagent, 5-hydroperoxycarbonylphthalimide, overcomes these problems.

  过氧羧酸在工业和一般研究中广泛用于环氧化，但存在许多缺点，如难以以纯状态制备、成本高以及产品环氧化物可能因酸催化反应而发生开环；一种新的试剂，5-羟基过氧羰基邻苯二甲酰亚胺，克服了这些问题。