硫氰醋酸异龙脑 | 20285-28-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: 硫氰醋酸异龙脑
• 英文名称: Thanit
• 英文别名: isobornyl thiocyanoacetate；1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate；Isobornyl thiocyanatoacetate；(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-thiocyanatoacetate
• CAS: 20285-28-3
• 化学式: C₁₃H₁₉NO₂S
• 分子量: 253.365
• InChiKey: IXEVGHXRXDBAOB-UHFFFAOYSA-N

物化性质

• 颜色/状态：
  CLEAR, AMBER LIQUID
• 气味：
  Terpene-like odor
• 沸点：
  95 °C @ 0.06 mm Hg
• 闪点：
  82 °C ; 180 °F /TECHNICAL PRODUCT/
• 溶解度：
  Very soluble in alcohol, benzene, chloroform, ether; practically insoluble in water.
• 密度：
  1.1465 @ 25 °C/4 °C
• 蒸汽压力：
  0.06 MM HG @ 95 °C
• 稳定性/保质期：

  IT IS STABLE UNDER NORMAL STORAGE CONDITIONS.

• 分解：
  When heated to decomp it emits very toxic fumes of NOx and SOx /nitrogen oxides and sulfur oxides/.
• 腐蚀性：
  SOMEWHAT CORROSIVE TO GALVANIZED IRON
• 折光率：
  Index of refraction = 1.512 @ 25 °C/D

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

在活小鼠中...摄入多种有机硫氰酸盐后释放了氢氰酸。...谷胱甘肽S-转移酶催化了谷胱甘肽与硫氰酸盐硫的反应，释放了氢氰酸。...即使没有这种酶，硫氰酸盐也会与谷胱甘肽反应释放氢氰酸...

IN LIVING MICE...HCN WAS RELEASED AFTER INGESTION OF MANY ORGANOTHIOCYANATES. ...GLUTATHIONE S-TRANSFERASES CATALYZED REACTION OF GLUTATHIONE WITH THE THIOCYANATE SULFUR AND RELEASED HCN. ... THANITE REACTED WITH GLUTATHIONE TO RELEASE /HCN EVEN WITHOUT THIS ENZYME/...

来源:Hazardous Substances Data Bank (HSDB)

代谢

小鼠肝脏和家蝇匀浆从硫酸钠中释放了氢氰酸。

HOMOGENATES OF MOUSE LIVER AND WHOLE HOUSEFLIES LIBERATED HCN FROM THANITE.

来源:Hazardous Substances Data Bank (HSDB)

代谢

异冰片基硫氰乙酸酯在鱼体内发生了S-甲基化，已被注意。

S-METHYLATION OF ISOBORNYL THIOCYANOACETATE HAS BEEN NOTED IN FISH.

来源:Hazardous Substances Data Bank (HSDB)

代谢

carp 和 largemouth bass 中 thanite 的残留物分析。代谢物异戊基硫代甲基醋酸被分离出来。

ANALYSIS FOR RESIDUES OF THANITE IN CARP AND LARGEMOUTH BASS. THE METABOLITE, ISOBORNYL ALPHA-(METHYLTHIO)ACETATE WAS ISOLATED.

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

• 相互作用

THANITE 与有机氯、氨基甲酸酯和磷酰亚硫酯类杀虫剂显示出协同作用。

THANITE SHOWED SYNERGISTIC ACTIVITY WITH ORGANOCHLORINE, CARBAMATE & PHOSPHORODITHIOATE INSECTICIDES.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

八氯二丙基醚显著增强了异丁基硫氰乙酸酯的杀虫活性，而胡椒基丁氧基或拟除虫菊酯则没有增强作用。

INSECTICIDAL ACTIVITY OF ISOBORNYL THIOCYANOACETATE WAS SIGNIFICANTLY POTENTIATED BY OCTACHLORODIPROPYL ETHER, BUT NOT BY PIPERONYL BUTOXIDE OR PYRETHROIDS.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

与摄入有关的毒性部分是由于氰离子释放；因此，应使用适当治疗氰化物的中等水平。然而，硫氰酸盐分子本身就有毒；因此，应使用利尿和可能的透析来促进其排泄。

Poisoning associated with ingestion is due in part to release of the cyanide ion; therefore, a moderate level of treatment appropriate for cyanide should be used. However, the thiocyanate molecule itself is toxic; therefore diuresis and perhaps dialysis should be used to promote its excretion.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 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，并在需要时辅助通气。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，并在必要时进行治疗……监测休克，并在必要时进行治疗……预计癫痫发作，并在必要时进行治疗……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。对于摄入，如果患者能吞咽、有强烈的呕吐反射且不流口水，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……在去污后，用干燥的无菌敷料覆盖皮肤烧伤……/毒药A和B/

/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 海关编码：
  2930909090

文献信息

• Physical, chemical, and isotopic (atomic) labels
  申请人：Pearl Technology Holdings, LLC.

  公开号：US20040258617A1

  公开（公告）日：2004-12-23

  Chemical or isotopic labels are added to, e.g., a potentially lethal drug formulation, to generate a unique chemical fingerprint. Combinations of chemical additives are mixed with the drug to aid in their isolation and identification, especially when such drugs are used for illicit purposes. When stable isotopes are incorporated into lethal drugs, the labeling process conveys a very unique internal chemical signature and greatly aids in the identification of the parent drug in body fluids and tissues. When heath-care providers become aware that certain drugs can now be easily tracked and identified in a victim, individuals may be reluctant to utilize these agents for ill purposes.

  化学或同位素标记被添加到例如潜在致命的药物配方中，以生成独特的化学指纹。化学添加剂的组合与药物混合在一起，以帮助其隔离和识别，尤其是当这些药物被用于非法目的时。当稳定同位素被纳入致命药物中时，标记过程传达了非常独特的内部化学签名，并极大地帮助在体液和组织中识别母药。当医疗保健提供者意识到某些药物现在可以轻松跟踪和识别受害者时，个人可能会不愿意将这些药物用于不良目的。
• Oxyimino-substituted cyclopropane compounds, process for their manufacture, pesticidal compositions and their use as and in the manufacture of pesticides
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0021519A2

  公开（公告）日：1981-01-07

  Novel oxyimino-substituted cyclopropane compounds having the general formula wherein W is thienyl, furfuryl, -CO2R1, -CONR1R2, -SO3R1, -SO2NR1R2, -PO3H, -PO(OR1)2, -NO2, -CN, -OR1, -SR1, -S(O)R1, -S(O)2R1, -NR1R2, -N(O)R1R2 or -(OCH2CH2)q-OR1 in which q is an integer of 1 to 4, R' and R2 represents a hydrogen atom, an alkyl group optionally-substituted by halogen, a (cycloalkyl)alkyl group optionally ring-substituted by halogen, a cycloalkyl group, an alkenyl group optionally-substituted by halogen or an alkynyl group or an aryl group or an aralkyl group, each optionally ring-substituted by halogen or R'or R2 represent an alkylene or oxoalkylene group, or when one orR' and R2 is furfuryl or thienyl then the other is a hydrogen atom; p is an integer of 1 or 2; W1 is a hydrogen atom or an alkyl group containing 1 to 4 carbon atoms when p is 1 or when p is 2 W1 is a hydrogen atom; X is chlorine, bromine or OR in which R represents a hydrogen atom, a salt-forming cation, an alkyl group orthe residue of a pyrethroid alcohol, for example, 3-phenoxybenzyl alcohol. The pyrethroid alcohol esters have insecticidal activity and the remaining compounds are precursors therefor.

  具有通式的新型氧亚氨基取代环丙烷化合物 其中 W 是噻吩基、糠基、-CO2R1、-CONR1R2、-SO3R1、-SO2NR1R2、-PO3H、-PO(OR1)2、-NO2、-CN、-OR1、-SR1、-S(O)R1、-S(O)2R1、-NR1R2、-N(O)R1R2 或-(OCH2CH2)q-OR1，其中 q 是 1 至 4 的整数、R'和 R2 代表氢原子、任选被卤素取代的烷基、任选被卤素环取代的（环烷基）烷基环烷基、任选被卤素取代的烯基、炔基、芳基或芳烷基，各自任选被卤素环 代，或 R'或 R2 代表亚烷基或氧代亚烷基，或当 R'和 R2 中的一个是糠基或噻吩基时，另一个是氢原子；p 是 1 或 2 的整数；当 p 为 1 时，W1 是氢原子或含有 1 至 4 个碳原子的烷基，当 p 为 2 时，W1 是氢原子；X 是氯、溴或 OR，其中 R 代表氢原子、成盐阳离子、烷基或拟除虫菊酯醇的残留物，例如 3-苯氧基苄醇。拟除虫菊酯醇类具有杀虫活性，其余化合物是其前体。
• (Cycloalkyl)alkoxyimino-substituted cyclopropanecarboxylate esters, process for their manufacture, pesticidal compositions containing them, and their use as pesticides
  申请人：SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V.

  公开号：EP0021520A1

  公开（公告）日：1981-01-07

  ovel pesticidally-active oxyimino-substituted -cylopropane- carboxylate esters have the following general formuta:- Artwork su wherein R1 represents a hydrogen atom, an alkyl group optionally-substituted by one or more halogen atoms, a (cycloalkyl)alkyl group optionally ring-substituted by one or more halogen atoms, a cycloalkyl group, an alkenyl group optionally-substituted by one or more halogen atoms or an alkynyl group or an aryl or aralkyl group each optionally ring-substituted by one or more halogen atoms; and R is in which R2 and R3 each independently is a hydrogen atom, a halogen atom an alkyl group or a nitro group, each Hal is independently a halogen atom R' is a hydrogen atom or a halogen atom and n is an integer of 1 to 5.

  图样 su 其中 R1 代表氢原子、任选被一个或多个卤素原子取代的烷基、任选被一个或多个卤素原子环取代的(环烷基)烷基、环烷基、任选被一个或多个卤素原子取代的烯基、或任选被一个或多个卤素原子环取代的炔基、或任选被一个或多个卤素原子环取代的芳基或芳烷基；并且 R 是 其中 R2 和 R3 各自独立地为氢原子、卤素原子、烷基或硝基，Hal 各自独立地为卤素原子 R' 为氢原子或卤素原子，n 为 1 至 5 的整数。
• 3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine compounds, composition containing them, their use as insecticides and acaricides
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0033163A2

  公开（公告）日：1981-08-05

  3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4- triazine compound of the formula, wherein R, is an allyl or propargyl group, R2 is a is a hydrogen atom or a methyl group: and when R3 is a hydrogen atom, R. is a group of (in which R, is a chlorine, bromine or fluorine atom, or a methyl, vinyl, methoxycarbonyl or methoxymethyl group, R8 is a hydrogen, chlorine, bromine or fluorine atom or a methyl group), and when R3 is a methyl group, R4 is a methyl group, R5 is an isopropyl or cyclopropyl group, R6 is an alkyl group having 1 to 3 carbon atoms or alkoxyl group having 1 to 3 carbon atoms, or a chlorine, bromine or fluorine atom, n is 1 or 2, and -(R6)n may include a 3,4-methylenedioxy group, and its use as an insecticide and/or acaricide. in which R3

  式中的 3,5-二氧代-2,3,4,5-四氢-1,2,4-三嗪化合物、 其中 R 是烯丙基或丙炔基，R2 是氢原子或甲基 是氢原子或甲基：当 R3 是氢原子时，R. (其中 R，是氯、溴或氟原子，或甲基、乙烯基、甲氧羰基或甲氧基甲基，R8 是氢、氯、溴或氟原子或甲基），当 R3 是甲基时，R4 是甲基，R5 是异丙基或环丙基、R6 是具有 1 至 3 个碳原子的烷基或具有 1 至 3 个碳原子的烷氧基，或氯、溴或氟原子，n 是 1 或 2，且-(R6)n 可包括 3,4-亚甲二氧基，并可用作杀虫剂和/或杀螨剂。其中 R3
• Carboxylates, a process for their production, an insecticidal and/or acaricidal composition and the use of the compounds as insecticides and/or acaricides
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：EP0037851A2

  公开（公告）日：1981-10-21

  The invention relates to carboxylates of the formula (I), wherein R1 is wherein R2 is a hydrogen atom or a methyl group; R, is a 2-methyl-1-propenyl group when R2 is a hydrogen atom, and R3 is a methyl group when R2 is a methyl group; each of R4 and R5 is a hydrogen atom, a fluorine, chlorine or bromine atom, or a methyl, methoxy or 3,4-methylenedioxy group, with the proviso that R4 and R5 are not hydrogen atoms at the same time, a process for their production, insecticidal and/or acaricidal compositions containing these compounds as active ingredients, and the use of the compounds as insecticides and/or acaricides.

  本发明涉及式 (I) 的羧酸盐、 其中 R1 是 其中 R2 是氢原子或甲基；当 R2 是氢原子时，R, 是 2-甲基-1-丙烯基；当 R2 是甲基时，R3 是甲基；R4和R5各自为氢原子、氟原子、氯原子或溴原子，或甲基、甲氧基或3,4-亚甲二氧基，但R4和R5不能同时为氢原子，其生产工艺，含有这些化合物作为活性成分的杀虫和/或杀螨剂组合物，以及这些化合物作为杀虫和/或杀螨剂的用途。