乙酰甲草胺

乙酰甲草胺 基本信息
CAS号 38727-55-8 分子式 C16H22ClNO3
分子量 311.80400 精确质量  311.12900
PSA  46.61000 LogP  2.94630

基本信息 展开↓

CAS号:
38727-55-8
3D弹球模型:
立即前往扯扯看
分子式:
C16H22ClNO3
分子量:
311.80400
中文名称:
乙酰甲草胺
英文名称:
diethatyl-ethyl
中文别名:
乙酰甲草胺;
除草剂;
甘草锁
英文别名:
diethatyl-ethyl;
ethyl 2-(N-(2-chloroacetyl)-2,6-diethylanilino)acetate;
Diethatyl ethyl;
ethyl N-(chloroacetyl)-N-(2,6-diethylphenyl)glycinate;
ethyl N-chloroacetyl-N-(2,6-diethylphenyl)glycinate
精确分子量/精确质量:
311.12900
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。
EINECS:
254-105-3
InChI:
The Key: WFKSADNZWSKCRZ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.15 g/cm3
沸点:
447.9ºC at 760 mmHg
闪点:
224.7ºC
折射率:
1.538

安全信息展开↓

海关代码:
2924299039

合成路线查看所有的合成路线

  • 38727-56-9

    ethyl 2-(2,6-diethylanilino)acetate

  • +

  • 79-04-9

    一氯代乙酰氯

  • 38727-55-8

    乙酰甲草胺

化学图谱

  1. 乙酰甲草胺质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MB9200000
CHEMICAL NAME :
Glycine, N-(chloroacetyl)-N-(2,6-diethylphenyl)-, ethyl ester
CAS REGISTRY NUMBER :
38727-55-8
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C16-H22-Cl-N-O3
MOLECULAR WEIGHT :
311.84
WISWESSER LINE NOTATION :
2OV1NV1GR B2 F2

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 :
2300 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: 9,272,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1650 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: A544,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
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: 9,272,1991
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
>10 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: A544,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - duck
DOSE/DURATION :
>10 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: A544,1985 *** 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

海关数据查看详细

中国海关编码:2924299039

概述:
2924299039 乙酰甲草胺、异丙隆、异草完隆等〔包括异丙草胺、异丁草胺〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:9.0%。最低关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
监管条件:
S.进出口农药登记证明
摘要/Summary:
2924299039. VAT:17.0%. Tax rebate rate:9.0%. Supervision conditions:S(import or export registration certificate for pesticides). MFN tariff:6.5%. General tariff:30.0%

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:84.85

2、  摩尔体积(cm3/mol):271.0

3、  等张比容(90.2K):689.8

4、  表面张力(dyne/cm):41.9

5、  极化率(10-24cm3):33.63

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:8

5.互变异构体数量:无

6.拓扑分子极性表面积46.6

7.重原子数量:21

8.表面电荷:0

9.复杂度:336

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:1

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  • 38727-56-9

    ethyl 2-(2,6-diethylanilino)acetate

  • 79-04-9

    一氯代乙酰氯

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