3-氯苯酐 | 117-21-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酐的卤化、磺化、硝化或硝化衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 3-氯苯酐
• 中文别名: 3-氯代苯酐；氯代苯酐；3-氯代邻苯二甲酸酐
• 英文名称: 3-chlorophthalic anhydride
• 英文别名: 4-chloroisobenzofuran-1,3-dione；4-chloro-2-benzofuran-1,3-dione
• CAS: 117-21-5
• 化学式: C₈H₃ClO₃
• mdl: MFCD00023107
• 分子量: 182.563
• InChiKey: UERPUZBSSSAZJE-UHFFFAOYSA-N

物化性质

• 熔点：
  123-126 °C
• 沸点：
  170°C(lit.)
• 密度：
  1.594±0.06 g/cm3(Predicted)
• LogP：
  2.713
• 稳定性/保质期：
  常温常压下稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2942000000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封储存，应存放在阴凉、干燥的库房中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chlorophthalic anhydride
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: 3-Chlorophthalic anhydride
CAS number: 117-21-5

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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: C8H3ClO3
Molecular weight: 182.6

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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, hydrogen chloride.

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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

制备方法与用途

化学性质：无色片状固体，熔点为124℃，沸点为313℃，常温条件下无毒无味。

用途：3-氯代苯酐可用于合成1-氯蒽醌及其他蒽醌系列染料。此外，它还用作染料、医药及农药中间体，并是合成聚酰亚胺的重要原料。

反应信息

• 作为反应物：
  描述：

  3-氯苯酐 在 三氯化铝 、 硫酸 作用下， 生成 1-氯蒽醌
  参考文献：
  名称：

  A STUDY OF THE DEHYDRATION OF DERIVATIVES OF ORTHOBENZOYLBENZOIC ACID

  摘要：

  DOI：

  10.1021/ja01366a027
• 作为产物：
  描述：

  硝基萘 在 chromium(VI) oxide 、 五氯化磷 、 溶剂黄146 作用下， 生成 3-氯苯酐
  参考文献：
  名称：

  Bogert; Boroschek, Journal of the American Chemical Society, 1901, vol. 23, p. 751

  摘要：

  DOI：

文献信息

• Unmasking Amides: Ruthenium-Catalyzed Protodecarbonylation of N-Substituted Phthalimide Derivatives
  作者：Yu-Chao Yuan、Raghu Kamaraj、Christian Bruneau、Thierry Labasque、Thierry Roisnel、Rafael Gramage-Doria

  DOI：10.1021/acs.orglett.7b03278

  日期：2017.12.1

  The unprecedented transformation of a wide range of synthetically appealing phthalimides into amides in a single-step operation has been achieved in high yields and short reaction times using a ruthenium catalyst. Mechanistic studies revealed a unique, homogeneous pathway involving five-membered ring opening and CO2 release with water being the source of protons.

  使用钌催化剂，以高收率和较短的反应时间实现了单步操作中各种合成吸引力的邻苯二甲酰亚胺前所未有的转化为酰胺。机理研究表明，独特的均质途径涉及五元环的打开和CO 2的释放，其中水是质子的来源。
• Two new isomerous fluorescent chemosensors for Al3+ based on photoinduced electron transfer
  作者：Xiu-Juan Jiang、Hao Tang、Xiao-Yuan Li、Shuang-Quan Zang、Hong-Wei Hou、Thomas C.W. Mak

  DOI：10.1016/j.saa.2013.06.006

  日期：2013.11

  Two new isomerous PET fluorescent chemosensors (L and L') for Al(3+) have been designed, synthesized and characterized. The two chemosensors exhibited fluorescence enhancement upon binding Al(3+) in CH3CN by PET inhibition processes from both the sulfur and the nitrogen donors to anthracene. The job's plot, Benesi-Hildebrand plot and (1)H NMR titration experiments indicate that both chemosensors form

  设计，合成和表征了两种新的Al（3+）异构PET荧光化学传感器（L和L'）。通过从硫和氮供体到蒽的PET抑制过程，两个化学传感器在CH3CN中结合Al（3+）时显示出荧光增强。作业图，Benesi-Hildebrand图和（1）H NMR滴定实验表明，两个化学传感器均与Al（3+）形成1：1的络合物。结合常数计算为（1.432±0.186）×10（5）和（1.427±0.970）×10（5）。此外，确定CH3CN中Al（3+）的最低检测限分别为4.8×10（-7）M和2.2×10（-7）M。
• 调节WNT信号通路的酰胺类化合物及其用途
  申请人：中国医学科学院药物研究所

  公开号：CN109867661B

  公开（公告）日：2022-07-19

  本发明属于医药技术领域，特别涉及调节WNT信号通路的酰胺类化合物及其用途。根据本发明的化合物具有通式I所示的结构：
• Insecticidal Benzenedicarboxamide Derivative
  申请人：Wada Katsuaki

  公开号：US20110184188A1

  公开（公告）日：2011-07-28

  The present invention relates to a novel benzenedicarboxamide derivative and the use thereof as an insecticide having the formula (I) wherein the chemical groups W 1 to W 9 , and R 1 to R 3 are as defined here-in.

  本发明涉及一种新型苯二甲酰胺衍生物及其作为杀虫剂的用途，其化学式为(I)，其中化学基团W1至W9，以及R1至R3如本文所定义。
• Modular Synthetic Approach to Silicon-Rhodamine Homologues and Analogues via Bis-aryllanthanum Reagents
  作者：Alexey N. Butkevich

  DOI：10.1021/acs.orglett.1c00512

  日期：2021.4.2

  A modular synthetic approach toward diverse analogues of the far-red fluorophore silicon-rhodamine (SiR), based on a regioselective double nucleophilic addition of aryllanthanum reagents to esters, anhydrides, and lactones, is proposed. The reaction has improved functional group tolerance and represents a unified strategy toward cell-permeant, spontaneously blinking, and photoactivatable SiR fluorescent

  提出了一种基于芳基镧试剂与酯、酸酐和内酯的区域选择性双亲核加成的远红荧光团硅罗丹明（SiR）的多种类似物的模块化合成方法。该反应提高了官能团耐受性，代表了一种针对细胞渗透、自发闪烁和光激活 SiR 荧光标记的统一策略。它与钯催化的羟基或氨基羰基化相结合，为一系列经过验证的活细胞兼容荧光染料提供了一条简化的合成途径。

表征谱图