Acetic acid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester | 2971-38-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Acetic acid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester
• 英文别名: [(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate
• CAS: 2971-38-2；17106-89-7
• 化学式: C₁₂H₁₁Cl₃O₃
• 分子量: 309.6
• InChiKey: NEVMZYLKPFGDJB-OWOJBTEDSA-N

物化性质

• 沸点：
  413.2±45.0 °C(Predicted)
• 密度：
  1.355±0.06 g/cm3(Predicted)
• 闪点：
  Greater than 175 °F (open cup) /2,4-D esters/
• 溶解度：
  Soluble in oils /2,4-D esters/
• 稳定性/保质期：
  Shelf life of ester formulations varies, depending on the emulsifying system. Some retain satisfactory emulsifying properties after 3 yr. /2,4-D ester formulations/
• 分解：
  When heated to decomposition, emits highly toxic vapors. /2,4-D esters/
• 腐蚀性：
  May attack some forms of plastics /2,4-D esters/

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

植物将2,4-D酯水解成2,4-D，后者是活性除草剂。进一步的代谢通过三种机制发生，即侧链降解、芳香环羟基化和与植物成分的共轭作用。/2,4-D酯/

Plants hydrolyze 2,4-D esters to 2,4-D, which is the active herbicide. ... Further metabolism ... occurs through three mechanisms, namely, side chain degradation, hydroxylation of the aromatic ring, and conjugation with plant constituents. /2,4-D esters/

来源:Hazardous Substances Data Bank (HSDB)

代谢

草甘膦酸酯、腈、胺（以及当然的盐类）的除草活性与母酸相似，如果不是完全相同的话。这显然是由于植物和土壤微生物中存在水解酶，这些酶将这些衍生物转化为母酸。/2,4-D 酯/

HERBICIDAL ACTIVITY OF ESTERS, NITRILES, AMINES (&, OF COURSE, SALTS) APPEARS SIMILAR IF NOT IDENTICAL TO PARENT ACID. THIS IS APPARENTLY DUE TO PRESENCE OF HYDROLYTIC ENZYMES IN PLANTS & IN SOIL MICROORGANISMS THAT CONVERT THESE DERIVATIVES TO PARENT ACID. /2,4-D ESTERS/

来源:Hazardous Substances Data Bank (HSDB)

代谢

2,4-D 酯类在动物体内被水解。在大鼠口服给药后，苯氧基酸主要以原形从尿液中排出，尽管有一小部分与氨基酸（甘氨酸和牛磺酸）和葡萄糖酸结合。

2,4-D ESTERS ARE HYDROLYZED IN ANIMALS. THE PHENOXY ACIDS ARE EXCRETED PREDOMINANTLY AS SUCH IN THE URINE OF RATS AFTER THEIR ORAL ADMIN, ALTHOUGH MINOR PORTION IS CONJUGATED WITH AMINO ACIDS GLYCINE & TAURINE & WITH GLUCURONIC ACID. /2,4-D AND ESTERS/

来源:Hazardous Substances Data Bank (HSDB)

代谢

2,4-D 的代谢物中，除了共轭物之外，在人类尿液中没有检测到。

Metabolites of 2,4-D other than conjugates have not been detected in human urine.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A4；不可归类为人类致癌物。/2,4-D/

A4; Not classifiable as a human carcinogen. /2,4-D/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

致癌性分类：1）人类证据：有限；对人类致癌风险的总体评估为2B组：该物质可能对人类致癌。/SRP：早期文献表明这些化合物具有致癌性。后来发现这是由于污染，包括二噁英。/ /氯苯氧基除草剂；来自表格/

Classification of carcinogenicity: 1) evidence in humans: limited; overall summary evaluation of carcinogenic risk to humans is Group 2B: The agent is possibly carcinogenic to humans. /SRP: The older literature indicated that these compounds were carcinogenic. It was discovered that this was due to contamination, including dioxin./ /Chlorophenoxy herbicides; From table/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 毒性数据

LC50（小鼠）= 2,190 毫克/立方米/2小时

LC50 (mice) = 2,190 mg/m3/2h

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预防癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……。不要使用催吐剂。对于误食，如果患者能吞咽、有强烈的干呕反射且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭……。监测体温，如有必要，进行治疗。/氯苯氧基除草剂及相关化合物/

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Monitor body temperature and treat if necessary. /Chlorophenoxy herbicides and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  6.1(b)
• 危险品运输编号：
  3345
• 包装等级：
  III
• 危险类别：
  6.1(b)

文献信息

• Methods and compositions for increasing the efficacy of biologically-active ingredients
  申请人：Windsor Brian J.

  公开号：US20060276339A1

  公开（公告）日：2006-12-07

  The invention provides methods and compositions for modulating the sensitivity of cells to cytotoxic compounds and other active agents. In accordance with the invention, compositions are provided comprising combinations of ectophosphatase inhibitors and active agents. Active agents include antibiotics, fungicides, herbicides, insecticides, chemotherapeutic agents, and plant growth regulators. By increasing the efficacy of active agents, the invention allows use of compositions with lowered concentrations of active ingredients.