Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate

Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate 基本信息
CAS号 63782-90-1 分子式 C19H19ClFNO3
分子量 363.81000 精确质量  363.10400
PSA  46.61000 LogP  4.46600

基本信息 展开↓

CAS号:
63782-90-1
分子式:
C19H19ClFNO3
分子量:
363.81000
中文名称:
Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate
英文名称:
flamprop-M-isopropyl
中文别名:
Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate
英文别名:
flamprop-M-isopropyl;
Isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate;
isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate;
1-methylethyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D-alaninate
精确分子量/精确质量:
363.10400
极性分子表面积/PSA:
46.61000
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。

物化性质展开↓

密度:
1.255g/cm3
沸点:
476.4ºC at 760mmHg
闪点:
241.9ºC

化学图谱

  1. 麦草氟异丙酯质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AY3274600
CHEMICAL NAME :
D-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, isopropyl ester
CAS REGISTRY NUMBER :
63782-90-1
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C19-H19-Cl-F-N-O3
MOLECULAR WEIGHT :
363.84

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 :
>4 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: 9,395,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1600 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: 9,395,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 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: 9,395,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - domestic
DOSE/DURATION :
>2 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: 9,395,1991

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:95.27

2、  摩尔体积(cm3/mol):289.7

3、  等张比容(90.2K):751.4

4、  表面张力(dyne/cm):45.2

5、  极化率(10-24cm3):37.77

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