燕麦酯

燕麦酯 基本信息
CAS号 14437-17-3 分子式 C10H10Cl2O2
分子量 233.09100 精确质量  232.00600
PSA  26.30000 LogP  2.66290

等价的CAS号:

14437-17-3,59604-06-7,59604-09-0

基本信息 展开↓

CAS号:
14437-17-3
3D弹球模型:
立即前往扯扯看
分子式:
C10H10Cl2O2
分子量:
233.09100
中文名称:
燕麦酯
英文名称:
chlorfenprop-methyl
中文别名:
燕麦酯;
3-(4-氯苯基)-2-氯丙酸甲酯
英文别名:
chlorfenprop-methyl;
chlorfenprop;
methyl 2-chloro-3-(4-chlorophenyl)propanoate;
methyl α,4-dichlorobenzenepropanoate;
Chlorofenprop-methyl;
methyl (RS)-2-chloro-3-(4-chlorophenyl)propionate;
chlorphenprop-methyl;
rac-methyl (2R)-2-chloro-3-(4-chlorophenyl)propanoate
精确分子量/精确质量:
232.00600
极性分子表面积/PSA:
26.30000
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。
贝尔斯坦号/MDL:
MFCD00055268
EINECS:
238-413-5
PubChem:
24868857
BRN:
2331933
InChI:
The Key: YJKIALIXRCSISK-UHFFFAOYSA-N

物化性质展开↓

密度:
1.277g/cm3
沸点:
300.4ºC at 760mmHg
闪点:
121.9ºC
折射率:
1.532
蒸汽压:
0.00112mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥
稳定性相关:

燃烧产生有毒氯化物气体

安全信息展开↓

危险类别码:
21/22-50/53
安全标志:
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:
Xn: Harmful;N: Dangerous for the environment;

化学图谱

  1. 燕麦酯质谱(MS)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UE8840000
CHEMICAL NAME :
Propionic acid, 2-chloro-3-(4-chlorophenyl)-, methyl ester
CAS REGISTRY NUMBER :
14437-17-3
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C10-H10-Cl2-O2
MOLECULAR WEIGHT :
233.10
WISWESSER LINE NOTATION :
GR D1YGVO1

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 :
1072 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1300 mg/m3/4H
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: A085,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1273 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: -,C44,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85DPAN "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976 Volume(issue)/page/year: -,-,1971/1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
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: A085,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,44,1976
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
756 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71. Discontinued. Volume(issue)/page/year: 9,119,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969 Volume(issue)/page/year: 5,44,1976
毒理学数据:

口服- 大鼠 LD50: 1072 毫克/ 公斤; 口服- 小鼠 LD50: 1000 毫克/ 公斤

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:53.90

2、  摩尔体积(cm3/mol):152.9

3、  等张比容(90.2K):422.9

4、  表面张力(dyne/cm):58.4

5、  极化率(10-24cm3):21.37

计算化学数据


1.疏水参数计算参考值(XlogP):3.4

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:14

8.表面电荷:0

9.复杂度:189

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:1

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

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便