鼠得克

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • 结构与计算化学
  • 表征图谱

鼠得克 基本信息

中文名称:
鼠得克 
中文别名:
鼠得克;
联苯杀鼠萘;
3-(3-联苯基-1,2,3,4-四氢萘基-1-基)-4-羟基-2H-1-苯并吡喃-2-酮 
英文名称:
Difenacoum
英文别名:
difenacoum;
3-(3-[1,1’-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one;
3-[(1RS,3RS;
Ratak;
Difenakum [Czech];
Neosorexa;
WBA 8107;
3-[(1Ξ,3Ξ)-3-[1,1’-biphenyl]-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one;
Difenacoum [BSI:ISO];
1RS,3SR)-3-biphenyl-4-yl-1,2,3,4-tetrahydro-1-naphthyl]-4-hydroxycoumarin;
Diphenacoum;
Neosorexa PP580;
Difenacoum;
4-hydroxy-3-[3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-2-one 
CAS No.:
56073-07-5
分 子 式:
C31H24O3
分 子 量:
444.52
精确分子量:
444.17300
PSA:
50.44000
EINECS:
259-978-4
风险术语:
28-48/25-50/53
分子结构式:
SDS:
查看

鼠得克 物化性质

外观与性状:
灰白色粉末
密度:
1.272 g/cm3
熔点:
96-98°C
沸点:
612.8ºC at 760 mmHg
闪点:
204.3ºC
折射率:
1.676
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
稳定性相关:

可燃; 燃烧产生刺激烟雾

鼠得克 安全信息

包装等级:
I
风险类别:
6.1(a)
危险类别码:
R28;R48/25;R50/53
安全说明:
S36/37-S45-S60-S61
安全标志:
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+, N

鼠得克 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN4934500
CHEMICAL NAME :
Coumarin, 3-(3-(4-biphenylyl)-1,2,3,4-tetrahydro-1-naphthyl)-4- hydroxy-
CAS REGISTRY NUMBER :
56073-07-5
LAST UPDATED :
199707
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C31-H24-O3
MOLECULAR WEIGHT :
444.55
WISWESSER LINE NOTATION :
T66 BOVJ EQ D- GL66&TJ IR DR

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 :
680 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MRBUDF MARDI Research Bulletin. (MARDI, Secy., Publication Committee, POB 2301, Kuala Lumpur 01-02, Selangor, Malaysia) V.1- 1973- Volume(issue)/page/year: 12,194,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>50 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: 9,276,1991
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: 9,276,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
50 mg/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: A146,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
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: 9,276,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
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: A146,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 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: 9,276,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - pig
DOSE/DURATION :
80 mg/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: A146,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
50 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: 9,276,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - chicken
DOSE/DURATION :
50 mg/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: 32,27,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - domestic
DOSE/DURATION :
100 mg/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: 32,27,1978
毒理学数据:

口服-大鼠 LD50: 0.68 毫克/公斤; 口服-小鼠 LD50: 0.80 毫克/公斤

鼠得克 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:131.46

2、   摩尔体积(cm3/mol):349.4

3、   等张比容(90.2K):959.8

4、   表面张力(dyne/cm):56.9

5、   极化率(10-24cm3):52.11

计算化学数据

1.疏水参数计算参考值(XlogP):6.9

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:3

6.拓扑分子极性表面积46.5

7.重原子数量:34

8.表面电荷:0

9.复杂度:757

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

鼠得克 表征图谱

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