生物氯菊酯

生物氯菊酯 基本信息
CAS号 51877-74-8 分子式 C21H20Cl2O3
分子量 391.28800 精确质量  390.07900
PSA  35.53000 LogP  5.86470

等价的CAS号:

51877-74-8,52341-32-9,52341-33-0,54774-45-7,54774-46-8,54774-47-9,61949-76-6,61949-77-7,52645-53-1

基本信息 展开↓

CAS号:
51877-74-8
3D弹球模型:
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分子式:
C21H20Cl2O3
分子量:
391.28800
中文名称:
生物氯菊酯
英文名称:
biopermethrin
中文别名:
生物氯菊酯;
3-(2,2-二氯乙烯基)-2,2-二甲基环丙烷羧酸-3-苯氧苯甲基酯
英文别名:
biopermethrin;
3-phenoxybenzyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate;
(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate;
(3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethyl-c yclopropane-1-carboxylate;
3-phenoxybenzyl (1R)-trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate;
(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate;
NRDC-147
精确分子量/精确质量:
390.07900
极性分子表面积/PSA:
35.53000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: RLLPVAHGXHCWKJ-MJGOQNOKSA-N

物化性质展开↓

密度:
1.293g/cm3
沸点:
465.9ºC at 760mmHg
闪点:
159.4ºC

化学图谱

  1. 生物氯菊酯质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GZ1260000
CHEMICAL NAME :
Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxyphenyl) methyl ester, (1R-trans)-
CAS REGISTRY NUMBER :
51877-74-8
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C21-H20-Cl2-O3
MOLECULAR WEIGHT :
391.31
WISWESSER LINE NOTATION :
L3TJ A1 A1 BVO1R COR&& C1UYGG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>270 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - rigidity (including catalepsy) Behavioral - aggression
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 45,325,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Behavioral - ataxia
REFERENCE :
EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 14,15,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 21,285,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
7500 ug/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - excitement Behavioral - ataxia
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 20,217,1983 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,329,1991 IARC Cancer Review:Human No Available Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,329,1991 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 53,329,1991

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:105.69

2、   摩尔体积(cm3/mol):302.5

3、   等张比容(90.2K):806.5

4、   表面张力(dyne/cm):50.5

5、   介电常数(F/m):

6、   偶极距(D):

7、   极化率(10-24cm3):41.89

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积35.5

7.重原子数量:26

8.表面电荷:0

9.复杂度:521

10.同位素原子数量:0

11.确定原子立构中心数量:2

12.不确定原子立构中心数量:0

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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