氟鼠酮

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • 结构与计算化学

氟鼠酮 基本信息

中文名称:
氟鼠酮 
中文别名:
氟鼠灵;
氟羟香豆素;
氟鼠酮;
3-[3-(4'-三氟甲基苄基氧代苯-4-基)-1,2,3,4-四氢-1-萘基]-4-羟基香豆素;
杀它仗 
英文名称:
flocoumafen
英文别名:
flocoumafen;
STORM;
4-hydroxy-3-[(1Ξ,3Ξ)-3-(4-{[4-(trifluoromethyl)phenyl]methoxy}phenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-1-benzopyran-2-one;
4-hydroxy-3-[1,2,3,4-tetrahydro-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-naphthalenyl]-2H-1-benzopyran-2-one;
Flocoumafen;
stratgem;
1RS,3SR)-1,2,3,4-tetrahydro-3-[4-(4-trifluoromethylbenzyloxy)phenyl]-1-naphthyl]coumarin;
aphthyl)coumarin;
Storm(rodenticide);
4-hydroxy-3-[(1RS,3RS;
FLOCUMAFEN;
Stratagen 
CAS No.:
90035-08-8
分 子 式:
C33H25F3O4
分 子 量:
542.54400
精确分子量:
542.17000
PSA:
59.67000
MDL:
MFCD01662724
EINECS:
421-960-0
风险术语:
26/27/28-48/23/24/25-50/53
分子结构式:
SDS:
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氟鼠酮 制备方法及用途

制备方法

3-[4-(4-三氟甲基苄氧基)苯基]-1,2,3,4-四氢-1-萘酚的制备 由4-三氟甲基溴苄与萘满酮在DMF中于室温反应,反应产物用NaBH4还原制得。

合成制备方法

3-[4-(4-三氟甲基苄氧基)苯基]-1,2,3,4-四氢-1-萘酚的制备 由4-三氟甲基溴苄与萘满酮在DMF中于室温反应,反应产物用NaBH4还原制得。

用途简介

第二代抗凝血剂,具有毒力强、适口性好、灭鼠效果显著等优点。可防治家栖鼠及野栖鼠和对其他类杀鼠剂产生抗性的鼠种。氟鼠酮高毒,使用时注意安全。

用途

第二代抗凝血剂,具有毒力强、适口性好、灭鼠效果显著等优点。可防治家栖鼠及野栖鼠和对其他类杀鼠剂产生抗性的鼠种。氟鼠酮高毒,使用时注意安全。

氟鼠酮 物化性质

外观与性状:
白色固体
密度:
1.348g/cm3
熔点:
181-191 (cis-isomer). 163-166 (trans- isomer)ºC
沸点:
640.2ºC at 760mmHg
闪点:
341ºC
折射率:
1.629
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
其它信息:

1.性状:白色粉末

2.相对密度:1.23

3.熔点(ºC):161~162

4.闪点(ºC):200

5.溶解性:溶于丙酮、乙醇、氯仿、二甲苯等有机溶剂。

氟鼠酮 安全信息

包装等级:
I
风险类别:
6.1(a)
危险类别码:
26/27/28-48/23/24/25-50/53
安全说明:
28-36/37/39-45-60-61
RTECS号:
DJ3100300
安全标志:
S28:接触皮肤之后,立即使用大量皂液洗涤。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
T+: Very toxic;N: Dangerous for the environment;

氟鼠酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3100300
CHEMICAL NAME :
2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-3-(4-((4-(trifluorome thyl)phenyl) methoxy)phenyl)-1-naphthalenyl)-
CAS REGISTRY NUMBER :
90035-08-8
LAST UPDATED :
199506
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C33-H25-F3-O4
MOLECULAR WEIGHT :
542.58

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 :
250 ug/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>3 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C285,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 ug/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
75 ug/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
700 ug/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - pig
DOSE/DURATION :
60 mg/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
>100 mg/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
>300 mg/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - gerbil
DOSE/DURATION :
180 ug/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: 9,398,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - duck
DOSE/DURATION :
100 mg/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: 9,398,1991 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2500 mg/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
REFERENCE :
JANREH Journal of Applied Animal Research. (Garuda Scientific Publications, 151, Janakpuri, Izatnagar, 243122, India) V.1- 1992- Volume(issue)/page/year: 2,81,1992
毒理学数据:

大鼠、小鼠、兔经口LD50(mg/kg):0.25、0.8、0.2。对皮肤和眼睛无刺激作用。虹鳟鱼LD50为0.0091mg/L,野鸭经口LD50为1.7mg/kg。

氟鼠酮 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:143.02

2、  摩尔体积(cm3/mol):402.3

3、  等张比容(90.2K):1082.2

4、  表面张力(dyne/cm):52.3

5、  极化率(10-24cm3):56.69

计算化学数据

1.疏水参数计算参考值(XlogP):7.7

2.氢键供体数量:1

3.氢键受体数量:7

4.可旋转化学键数量:5

5.互变异构体数量:3

6.拓扑分子极性表面积55.8

7.重原子数量:40

8.表面电荷:0

9.复杂度:915

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:2

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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