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三唑醇

三唑醇用途

三唑醇是一种广谱手性三唑类杀菌剂三唑酮的代谢物,由羰基还原为相应的醇。

三唑醇名称

[ CAS 号 ]:
55219-65-3

[ 中文名 ]:
三唑醇

[ 英文名 ]:
TRIADIMENOL

[中文别名 ]:

[英文别名 ]:

TRIADIMENOL
(1RS,2RS
MFCD00055507
UNII:NFR7MRD9NM
EINECS 259-537-6

三唑醇生物活性

[ 描述 ]:

三唑醇是一种广谱手性三唑类杀菌剂三唑酮的代谢物,由羰基还原为相应的醇。

[ 相关类别 ]:

信号通路 >> 抗感染 >> 真菌

三唑醇物理化学性质

[ 密度 ]:
1.2±0.1 g/cm3

[ 沸点 ]:
465.4±55.0 °C at 760 mmHg

[ 熔点 ]:
110ºC

[ 分子式 ]:
C₁₄H₁₈ClN₃O₂

[ 分子量 ]:
295.765

[ 闪点 ]:
235.3±31.5 °C

[ 精确质量 ]:
295.108765

[ PSA ]:
60.17000

[ LogP ]:
3.04

[ 外观性状 ]:
白色粉末固体

[ 蒸汽压 ]:
0.0±1.2 mmHg at 25°C

[ 折射率 ]:
1.580

[ 储存条件 ]:
库房通风低温干燥,与食品原料分开储运

三唑醇MSDS

三唑醇毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KK2200000

CHEMICAL NAME :: Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole -1-yl)-

CAS REGISTRY NUMBER :: 55219-65-3

LAST UPDATED :: 199806

DATA ITEMS CITED :: 17

MOLECULAR FORMULA :: C14-H18-Cl-N3-O2

MOLECULAR WEIGHT :: 295.80

WISWESSER LINE NOTATION :: T5NN DNJ AYOR DG&YQY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3800 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3060 mg/m3

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,833,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3250 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3 gm/m3

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1500 mg/kg

TOXIC EFFECTS :: Behavioral - muscle weakness

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - chicken

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JFAN "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc. of Chemistry, 1983-86 Volume(issue)/page/year: A402,1985

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Bird - chicken

DOSE/DURATION :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DEVEAA Defense des Vegetaux. (Federation Nationale des Groupements de Protection des Cultures, 149, rue de Bercy, 75595 Paris Cedex, 12, France) V.1- 1947- Volume(issue)/page/year: 39(235),2,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JFAN "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc. of Chemistry, 1983-86 Volume(issue)/page/year: A402,1985

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DEVEAA Defense des Vegetaux. (Federation Nationale des Groupements de Protection des Cultures, 149, rue de Bercy, 75595 Paris Cedex, 12, France) V.1- 1947- Volume(issue)/page/year: 39(235),2,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - domestic

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JFAN "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc. of Chemistry, 1983-86 Volume(issue)/page/year: A402,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Bird - domestic

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DEVEAA Defense des Vegetaux. (Federation Nationale des Groupements de Protection des Cultures, 149, rue de Bercy, 75595 Paris Cedex, 12, France) V.1- 1947- Volume(issue)/page/year: 36,126,1982 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 16362 mg/kg/17W-I

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - other changes Liver - other changes Related to Chronic Data - death

REFERENCE :: MTPEEI Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. (Mezhdunarodnaya Kniga, ul.B. Yakimanka, 39 117049 Moscow, Russia) No.1- 1993- Volume(issue)/page/year: (7),31,1997

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20700 ug/m3/17W-I

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Kidney, Ureter, Bladder - other changes in urine composition Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 20700 ug/m3/17W-I

TOXIC EFFECTS :: Brain and Coverings - recordings from specific areas of CNS Kidney, Ureter, Bladder - other changes in urine composition Blood - methemoglobinemia-carboxyhemoglobin

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 55(9),40,1990

三唑醇安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302 + H332-H412

[ 警示性声明 ]:
P261-P301 + P312 + P330

[ 个人防护装备 ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ 危害码 (欧洲) ]:
Xn:Harmful

[ 风险声明 (欧洲) ]:
R22;R52/53

[ 安全声明 (欧洲) ]:
S22-S61-S36-S26-S45

[ 危险品运输编码 ]:
2588

[ RTECS号 ]:
KK2200000

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1(b)

[ 海关编码 ]:
2933990014

三唑醇合成路线

三唑醇上下游产品

三唑醇上游产品

三唑醇下游产品

三唑醇制备

三唑醇的合成以三唑酮为原料，采用不同的还原方法制得。

具体还原方法如下。
异丙醇铝法 6.2g(0.03mol)异丙醇铝溶于62.5mL无水异丙醇中，搅拌加热至50℃时加入14.7g (0.05mol)三唑酮，继续搅拌加热至84℃，回流2～3h，蒸出丙酮和异丙醇混合溶剂10～12mL，温度由55℃升至82℃，停止加热，减压蒸出剩余溶剂。残留液搅拌下加至20mL10%硫酸和20mL水中，搅拌1.5h，析出白色固体，过滤，反复用125mL水洗涤固体，干燥，得三唑醇。
本法三唑醇收率达81%，有效体较其他方法高。非对映体的A体65.8%，B体10.6%，m.p.129～132℃，纯度76.4%(文献值A体85%，B体11.5%，m.p.128～130℃)。但反应条件较苛刻，是小批量生产一个好方法。
硼氢化钾法三唑酮32.9g (0.1mol)溶于150mL甲醇，于0～10℃加入5.4g (0.1mol)硼氢化钾，加毕于5～10℃反应2h，室温搅拌12h，再冷至10℃，加入15g (0.16mol)浓盐酸。加毕于室温搅拌6h，激烈搅拌下加入20g(0.24mol)碳酸氢钠溶于190mL水的溶液，过滤得三唑醇。本法操作方便，收率高，但硼化物资源有限，在反应中用量较大，有待改进。文献报道收率达85%。m.p.112～117℃，未测定非对映体比例。国内研究结果收率达100%。非对映体A体为34.7%，B体为53%。m.p.112～114℃，纯度87.7%。
保险粉还原法用廉价易得的还原剂连二亚硫酸钠（保险粉），在碳酸氢钠存在下，在水和有机溶剂系统中将三唑酮还原成三唑醇。工艺条件是：三唑酮：保险粉：碳酸氢钠为1:2:3 (mol)，溶剂系统甲醇：水为1：（1～7）。制备实例：将0.01mol三唑酮（含量92.4%)、10mL甲醇混合全溶后，加入70mL含有0.03mol碳酸氢钠的水溶液，加热回流，然后在4h内分批加入0.02mol保险粉（含量98%），加毕再回流2h。冷至室温，加入30mL水，搅拌30min。滤出固体，水洗，干燥，得白色固体。m.p.112～116℃。含量98.81%(混合的非对映异构体），收率98.62%。
若用同样的方法，改溶剂系统为二甲基甲酰胺/水（体积比1：1），得产品收率99。1%，含量98.84%(混合的非对映异构体）。本法优点是成本低、工艺简易，且具有高的收率和纯度。详见本产品的参考文献[3]。
氢气还原法用氢气还原，需在催化剂和一极性溶剂存在下进行。

三唑醇海关

[ 海关编码 ]: 2933990014

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ 监管条件 ]: S.进出口农药登记证明

[ Summary ]:
2933990014 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)butan-2-one。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:6.5%。general tariff:20.0%

三唑醇文献

Simultaneous enantioselective determination of triadimefon and its metabolite triadimenol in edible vegetable oil by gel permeation chromatography and ultraperformance convergence chromatography/tandem mass spectrometry.

Anal. Bioanal. Chem 407 , 8849-59, (2015)

A novel, sensitive, and efficient enantioselective method for the determination of triadimefon and its metabolite triadimenol in edible vegetable oil, was developed by gel permeation chromatography an...

Cross-resistance to medical and agricultural azole drugs in yeasts from the oropharynx of human immunodeficiency virus patients and from environmental Bavarian vine grapes.

Antimicrob. Agents Chemother. 51 , 3014-6, (2007)

Cross-resistance among Candida albicans isolates from the oropharynges of human immunodeficiency virus-infected patients (n = 16) and environmental yeast strains of various species (n = 54) to medical...

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三唑醇