3,4,5,6-四氯-1,2-苯二甲酸半水合物 | 632-58-6

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 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: 3,4,5,6-四氯-1,2-苯二甲酸半水合物
• 中文别名: 四氯苯二甲酸；四氯邻苯二甲酸；四氯酞酸；四氯酞酸半水合物；四氯邻苯二甲酸半水合物
• 英文名称: tetrachlorophthalic acid
• 英文别名: Tetrachlor-phthalsaeure；3,4,5,6-tetrachloro-1,2-benzenedicarboxylic acid；3,4,5,6-tetrachlorophthalic acid
• CAS: 632-58-6
• 化学式: C₈H₂Cl₄O₄
• mdl: MFCD00053309
• 分子量: 303.913
• InChiKey: WZHHYIOUKQNLQM-UHFFFAOYSA-N

物化性质

• 熔点：
  98°C
• 沸点：
  418.21°C (rough estimate)
• 密度：
  1.8331 (rough estimate)
• 溶解度：
  溶于甲醇
• 物理描述：
  Tetrachlorophthalic acid is a colorless plates. (NTP, 1992)
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险类别码：
  R36/37/38
• 危险品运输编号：
  25kgs
• RTECS号：
  TI2795000
• 安全说明：
  S36/37/39
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  储存于阴凉、通风的库房，远离火种和热源，确保包装密封。应将该物品与氧化剂、碱类及食用化学品分开存放，避免混合储存。

SDS

Tetrachlorophthalic Acid Hemihydrate
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Tetrachlorophthalic Acid Hemihydrate

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Acute toxicity (Oral) Category 5
Category 2
Skin corrosion/irritation
Serious eye damage/eye irritation Category 2A
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements May be harmful if swallowed
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: Tetrachlorophthalic Acid Hemihydrate
Percent: >98.0%(T)
CAS Number: 632-58-6
Chemical Formula: C8H2Cl4O4·½H2O
Tetrachlorophthalic Acid Hemihydrate

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Tetrachlorophthalic Acid Hemihydrate

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Colour: White
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents]
Soluble: Methanol
Log Pow: 3.2

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: orl-mus LD50:4640 mg/kg
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available
RTECS Number: TI2795000

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow: 3.2
No data available
Soil adsorption (Koc):
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.
Tetrachlorophthalic Acid Hemihydrate

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：白色结晶或粉末。

主要用途：

• 主要用于医药和染料等中间体的制备。
• 用作医药、染料等有机合成中的重要中间体。
• 作为染料中间体，并广泛应用于有机合成。

反应信息

• 作为反应物：
  描述：

  3,4,5,6-四氯-1,2-苯二甲酸半水合物 在 potassium cyanide 、 氢氧化钾 作用下， 生成 苯六甲酸
  参考文献：
  名称：

  Brusset; Uny, Bulletin de la Societe Chimique de France, 1951, p. 565

  摘要：

  DOI：
• 作为产物：
  描述：

  N-aminotetrachlorophthalimide 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 3,4,5,6-四氯-1,2-苯二甲酸半水合物
  参考文献：
  名称：

  Process for the preparation of salts of substituted or unsubstituted

  摘要：

  本发明涉及一种制备取代或未取代邻苯二甲酸盐的方法，通过将式化合物反应生成，其中R1，R2，R3和R4相同或不同，分别为H，F，Cl，Br，CF3，OH，每种情况下均具有1至4个碳原子的烷氧基或烷基基团，或基团--NR7R8，其中R7和R8相同或不同，分别为H，具有1至4个碳原子的烷基基团或苯基基团，R5和R6相同或不同，分别为H，具有1至6个碳原子的--CO--烷基基团或苯甲酰基团，或者R5和R6共同形成式的基团，其中R9，R10，R11和R12相同或不同，分别为H，F，Cl，Br，CF3，OH，每种情况下均具有1至4个碳原子的烷氧基或烷基基团，或基团--NR7R8，其中R7和R8相同或不同，分别为H，具有1至4个碳原子的烷基基团或苯基基团，与水，水溶性碱和氧化剂在-10℃至150℃的温度下，在反应条件下惰性的水不溶性溶剂的存在或缺席下进行。

  公开号：

  US05723658A1
• 作为试剂：
  描述：

  已腈 在 3,4,5,6-四氯-1,2-苯二甲酸半水合物 作用下， 反应 96.0h， 以85%的产率得到己酸
  参考文献：
  名称：

  在没有大量水的情况下进行水解1.使用四卤代邻苯二甲酸酐对酰胺进行化学选择性水解

  摘要：

  伯酰胺和仲酰胺与四氟邻苯二甲酸或四氯邻苯二甲酸酐的反应以良好的收率得到羧酸。该反应是化学选择性的，因为酰胺官能团可以在酯基的存在下水解。

  DOI：

  10.1016/s0040-4039(00)82395-3

文献信息

• [EN] SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS<br/>[FR] COMPOSÉS PHOTOCHROMIQUES SILOLE ET GERMOLE À CYCLE FUSIONNÉ
  申请人：TRANSITIONS OPTICAL LTD

  公开号：WO2019001724A1

  公开（公告）日：2019-01-03

  The present invention relates to silole and germole fused ring photochromic compounds represented, with some embodiments, by the following Formula (Ia), (Ia) With reference to Formula (Ia): M includes Si or Ge; Ring A and Ring B each independently include aryl or heteroaryl; and the photochromic compound is a thermally reversible photochromic compound. The present invention also relates to photochromic compositions and photochromic articles, such as photochromic ophthalmic articles that include one or more photochromic compounds represented, with some embodiments, by Formula (Ia).

  本发明涉及硅杂环和锗杂环融合环光致变色化合物，其中一些实施例由以下式（Ia）表示，（Ia）参照式（Ia）：M包括Si或Ge；环A和环B各自独立地包括芳基或杂芳基；光致变色化合物是热可逆光致变色化合物。本发明还涉及光致变色组合物和光致变色物品，例如包括由式（Ia）表示的一个或多个光致变色化合物的光致变色眼科物品。
• SULFENAMIDES AS FLAME RETARDANTS
  申请人：SONGWON INTERNATIONAL AG

  公开号：US20160289566A1

  公开（公告）日：2016-10-06

  The present invention is in the field of flame retardants and relates to use of sulfenamides as flame retardants, in particular in polymeric substrates.

  本发明属于阻燃剂领域，涉及将硫代酰胺用作阻燃剂，特别是在聚合物基材中的使用。
• Compounds and compositons for treating C1s-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020037915A1

  公开（公告）日：2002-03-28

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 , X, Y and Z are defined in the specification.

  揭示了一种治疗急性或慢性疾病症状的方法，该疾病是由补体级联的经典途径介导的，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4、X、Y和Z。
• [EN] PHOTOCHROMIC THIENOCHROMENE COMPOUNDS<br/>[FR] COMPOSÉS THIÉNOCHROMÈNE PHOTOCHROMIQUES
  申请人：TRANSITIONS OPTICAL INC

  公开号：WO2016144324A1

  公开（公告）日：2016-09-15

  The present invention relates to photochromic compounds, such as thienochromene compounds represented by the following Formulas (la) and/or (lb). The present invention also relates to photochromic compositions and articles containing one or more such photochromic thienochromene compounds.

  本发明涉及光致变色化合物，例如由以下式（Ia）和/或（Ib）表示的噻吩基色烯化合物。本发明还涉及含有一种或多种此类光致变色噻吩基色烯化合物的光致变色组合物和制品。
• Assembly of 1D, 2D and 3D lanthanum(<scp>iii</scp>) coordination polymers with perchlorinated benzenedicarboxylates: positional isomeric effect, structural transformation and ring-opening polymerisation of glycolide
  作者：Sheng-Chun Chen、An-Qi Dai、Kun-Lin Huang、Zhi-Hui Zhang、Ai-Jun Cui、Ming-Yang He、Qun Chen

  DOI：10.1039/c5dt04687d

  日期：——

  the carbonyl solvent molecules (DMF, DEF, DMA, and NMP) can affect the coordination geometries around the La(III) ions, the coordination modes of carboxylate groups, the packing arrangements, and the void volumes of the overall crystal lattices. One as-synthesized framework further shows an unprecedented structural transformation from a 3D 6-connected network to a 3D 4,5-connected net through the dissolution

  利用四氯化苯二羧酸配体的一系列位置异构体，溶剂热合成了七个基于La（III）的配位聚合物并对其结构进行了表征。它们的结构尺寸从1D双链到2D 3,4,5-连接的网络，再到3D 6连接的pcu拓扑网不等，仅受四氯化苯环上羧基的位置支配。全面的分析和比较表明，羰基溶剂分子（DMF，DEF，DMA和NMP）的大小会影响La（III离子，羧酸根基团的配位方式，堆积安排以及整个晶格的空隙体积。一个合成的框架进一步表明，通过在水中的溶解和重整途径，可以从3D 6连接网络到3D 4,5连接网络进行前所未有的结构转换，这表明这些易水解的镧系元素络合物可以作为生产新的镧系元素的前体。高维框架。利用这些La（III作为引发剂的复合物是本文首次报道。发现所有络合物均可在200至220°C的温度范围内促进乙交酯的聚合反应，产生分子量高达93 280的聚乙醇酸（PGA）。在相同的实验条件下，不同的催化活性这些复合物可能是由于它们的结构差异造成的。

表征谱图