三氟羧草醚

三氟羧草醚 基本信息
CAS号 62476-59-9 分子式 C14H6ClF3NNaO5
分子量 383.63900 精确质量  382.97800
PSA  95.18000 LogP  3.94600

基本信息 展开↓

CAS号:
62476-59-9
分子式:
C14H6ClF3NNaO5
分子量:
383.63900
中文名称:
三氟羧草醚
英文名称:
acifluorfen-sodium
中文别名:
三氟羧草醚;
5-[2-氯-4-(三氟甲基)苯氧基]-2-硝基苯甲酸钠盐;
5-[2-氯-4-(三氟甲基)-苯氧基]-2-硝基苯甲酸(钠);
达克果;
杂草焚;
达克尔
英文别名:
acifluorfen-sodium;
sodium,5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate;
Scifluorfen;
sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate;
Blazer 2S;
Acifluorfen sodium;
Acifluorfen sodium salt;
sodium 5-(2-chloro-α,α,α-trifluoro-p-tolyloxy)-2-nitrobenzoate;
Caswell No. 755D;
Blazer;
Sodium Acifluorfen;
Carbofluorfen
精确分子量/精确质量:
382.97800
极性分子表面积/PSA:
95.18000
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。
EINECS:
263-560-7

物化性质展开↓

外观与性状:
白色结晶粉末
熔点:
124-125ºC
沸点:
422.4ºC at 760 mmHg
闪点:
209.2ºC
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

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG5643200
CHEMICAL NAME :
Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, sodium salt
CAS REGISTRY NUMBER :
62476-59-9
LAST UPDATED :
199710
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C14-H6-Cl-F3-N-O5.Na
MOLECULAR WEIGHT :
383.65
WISWESSER LINE NOTATION :
WNR BVQ DOR BG DXFFF &-NA-

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 :
1300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>6900 mg/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
325 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - duck
DOSE/DURATION :
2821 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :
Insect - Drosophila melanogaster
DOSE/DURATION :
10 ppb
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 25,148,1995 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

分子结构与计算化学数据展开↓

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:8

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:95.2

7.重原子数量:25

8.表面电荷:0

9.复杂度:479

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: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:2

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