4-氯-5-硝基邻苯二甲酰亚胺 | 6015-57-2

• 物质功能分类: 有机原料 - 氨基化合物
• 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: 4-氯-5-硝基邻苯二甲酰亚胺
• 中文别名: 4-氯-5-硝基酞酰亚胺；5-氯-6-硝基异二氢吲哚-1,3-二酮；4-氯-5-氟-苯邻二甲酰亚胺
• 英文名称: 4-chloro-5-nitrophthalimide
• 英文别名: 5-chloro-6-nitroisoindole-1,3-dione
• CAS: 6015-57-2
• 化学式: C₈H₃ClN₂O₄
• mdl: MFCD00052331
• 分子量: 226.576
• InChiKey: ADLVDYMTBOSDFE-UHFFFAOYSA-N

物化性质

• 熔点：
  201 °C
• 密度：
  1.725
• 稳定性/保质期：
  常温常压下稳定，为浅黄色至白色结晶性粉末。

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 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：
  92
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2925190090
• 安全说明：
  S26,S37/39

SDS

Name:	5-Chloro-6-nitroisoindoline-1 3-dione 95+% Material Safety Data Sheet
Synonym:	4-Chloro-5-nitrophtalimid
CAS:	6015-57-2

Section 1 - Chemical Product MSDS Name:5-Chloro-6-nitroisoindoline-1 3-dione 95+% Material Safety Data Sheet
Synonym:4-Chloro-5-nitrophtalimid

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6015-57-2	5-Chloro-6-nitroisoindoline-1,3-dione	95+%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

---

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 6015-57-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 201 - 203 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H3ClN2O4
Molecular Weight: 227

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, acids, bases.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 6015-57-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Chloro-6-nitroisoindoline-1,3-dione - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 6015-57-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6015-57-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6015-57-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：浅黄色至白色的结晶性粉末

反应信息

• 作为反应物：
  描述：

  4-氯-5-硝基邻苯二甲酰亚胺 在 ammonium hydroxide 、 氯化亚砜 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成 4-chloro-5-nitrophthalodinitrile
  参考文献：
  名称：

  Shishkina; Maizlish; Shaposhnikov, Russian Journal of General Chemistry, 1997, vol. 67, # 5, p. 789 - 792

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯邻苯二酸 在 ammonium carbonate 、 硫酸 、 硝酸 作用下， 反应 2.5h， 生成 4-氯-5-硝基邻苯二甲酰亚胺
  参考文献：
  名称：

  6,7-二取代的1（2H）-和3,4-二氢-1（2H）-酞嗪酮的合成，利尿和降压活性。

  摘要：

  异构体系列6-氯-7-氨磺酰基-和7-氯-6-氨磺酰基-1（2H）-酞嗪酮（1和2）以及6-氯-7-氨磺酰基和7-氯-6-描述了氨磺酰基-3,4-二氢-1（2H）-酞嗪酮（3和4），结合了速尿和肼苯哒嗪的特征结构特征，讨论了1和2的形成机理，以及它们的结构-活性关系被研究。在大鼠中的初步筛选显示，系列1和3具有与氯噻嗪相似的利尿和利尿活性，但是Na + / K +比氯噻嗪和呋塞米更有利。系列2和4的化合物实际上是惰性的。所有四个系列的初始降压活性均低于肼苯哒嗪。但是，化合物1a，1c，

  DOI：

  10.1021/jm00156a011

文献信息

• [EN] ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF<br/>[FR] INHIBITEURS D'ADAMTS, LEURS PROCÉDÉS DE PRÉPARATION ET LEURS UTILISATIONS MÉDICALES
  申请人：ETERNITY BIOSCIENCE INC

  公开号：WO2021158626A1

  公开（公告）日：2021-08-12

  Compounds of formula (I) useful as inhibitors of ADAMTS-5 and/or ADAMTS-4, pharmaceutical compositions thereof, and use of them as therapeutic agents for the treatment of diseases involving degradation of cartilage or disruption of cartilage homeostasis, in particular osteoarthrosis and/or rheumatoid arthritis, are disclosed.

  公式（I）的化合物可用作ADAMTS-5和/或ADAMTS-4的抑制剂，其制药组合物以及将其用作治疗涉及软骨降解或软骨稳态紊乱的疾病的治疗剂，特别是骨关节炎和/或类风湿性关节炎。
• 一种邻苯二甲酰亚胺类衍生物及其制备方法 与应用
  申请人：中国农业科学院植物保护研究所

  公开号：CN104447498B

  公开（公告）日：2017-03-22

  本发明属于化学农药的杀虫杀菌技术领域，特别涉及一种邻苯二甲酰亚胺类衍生物及其制备方法与应用。本发明邻苯二甲酰亚胺类衍生物可以通过邻苯二甲酰亚胺、氢氧化钾、二溴烷烃、取代哌嗪基苯酚、酰氯(磷酰氯)等原料经过多步化学反应获得。本发明邻苯二甲酰亚胺类衍生物可用于杀虫，如蚜虫，菜青虫，飞虱，蓟马，朱砂叶螨，以及根结线虫等，也具有一定的杀菌抑菌效果。可以有效地控制植物害虫、害螨、线虫和病菌，也可以应用在农业上防治病虫害和病原菌。
• Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders
  申请人：Gregor Vlad E.

  公开号：US20080171769A1

  公开（公告）日：2008-07-17

  Provided are compounds of the formula (I): or a stereoisomer, tautomer, salt, hydrate or prodrug thereof that modulate tyrosine kinase activity, compositions comprising the compounds and methods of their use.

  提供的是化合物的结构式(I)：或其立体异构体、互变异构体、盐、水合物或前药，这些化合物调节酪氨酸激酶活性，包括这些化合物的组合物以及它们的使用方法。
• Novel n-channel organic semiconductor based on pyrene-phenazine fused monoimide and bisimides
  作者：Xiaoyu Song、Jing Zhao、Wandong Zhang、Long Chen

  DOI：10.1016/j.cclet.2017.09.015

  日期：2018.2

  self-assembly in solution. Electrochemical and electric conductivity measurement reveal it can be served as an n-channel semiconductor with large charge carrier mobility up to 4.1 cm 2 V −1 s −1 . Both alkylated imides are highly luminescent, and can be quenched via protonization using trifluoroacetic acid, which could be served as potential colorimetric acid sensors.

  摘要通过亚胺缩合反应合成了大的π共轭pyr-吩嗪单酰亚胺和双酰亚胺。这些酰亚胺在溶液中自组装后会形成有序的1D纳米带。电化学和电导率测量表明，它可以用作n沟道半导体，其载流子迁移率高达4.1 cm 2 V -1 s -1。两种烷基化的酰亚胺都具有高发光性，可以使用三氟乙酸通过质子化进行淬灭，可以用作潜在的比色酸传感器。
• 异吲哚-1,3-二酮类化合物及其制备方法与应 用
  申请人：山东大学

  公开号：CN104447496B

  公开（公告）日：2017-04-19

  本发明公开了一种异吲哚‑1,3‑二酮类化合物及其制备方法和应用。它具有如通式(Ⅰ)所示的结构。本发明的异吲哚‑1,3‑二酮类化合物对LNCap细胞具有细胞抑制活性，可用于制备抗肿瘤药物。