乙溴酰脲

乙溴酰脲 基本信息
CAS号 77-65-6 分子式 C7H13BrN2O2
分子量 237.09400 精确质量  236.01600
PSA  72.19000 LogP  2.22620

基本信息 展开↓

CAS号:
77-65-6
3D弹球模型:
立即前往扯扯看
分子式:
C7H13BrN2O2
分子量:
237.09400
中文名称:
乙溴酰脲
英文名称:
2-bromo-N-carbamoyl-2-ethylbutanamide
中文别名:
乙溴酰脲;
2-溴-2-乙基丁醯脲;
二乙溴乙酰脲
英文别名:
2-bromo-N-carbamoyl-2-ethylbutanamide;
Diacid;
Fydalin;
Dormiturin;
Karbromal;
Hoggar;
Bromadal;
CARBROMAL;
Bromodiethylacetylurea;
Addisomnol;
Adalin
精确分子量/精确质量:
236.01600
极性分子表面积/PSA:
72.19000
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:
201-046-6
InChI:
The Key: OPNPQXLQERQBBV-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
白色结晶粉末
密度:
1.445g/cm3
熔点:
118ºC
折射率:
1.513
存储条件/存储方法:
库房通风低温干燥,与食品原料分开存放

安全信息展开↓

海关代码:
2924210090

合成路线查看所有的合成路线

  • 7446-70-0

    无水三氯化铝

  • +

  • 680-47-7

    2-(carbamoylcarbamoyl)-2-ethylbutanoic acid

  • +

  • 7726-95-6

    溴素

  • 77-65-6

    乙溴酰脲

  • 2274-01-3

    N-carbamoyl-2-ethylbutanamide

  • +

  • 7726-95-6

    溴素

  • 77-65-6

    乙溴酰脲

  • 857977-91-4

    N,N'-bis-(2-ethyl-2-bromo-butyryl)-urea

  • +

  • 7664-41-7

    液氨

  • 77-65-6

    乙溴酰脲

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS2975000
CHEMICAL NAME :
Urea, (2-bromo-ethylbutyryl)-
CAS REGISTRY NUMBER :
77-65-6
BEILSTEIN REFERENCE NO. :
1775637
LAST UPDATED :
199710
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C7-H13-Br-N2-O2
MOLECULAR WEIGHT :
237.13
WISWESSER LINE NOTATION :
ZVMVXE2&2

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 :
316 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) Volume(issue)/page/year: NCI-E-C-72-3252,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
427 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
ITMZBJ Intensivmedizin. (Dr. Dietrich Steinkopff Verlag, Postfach 11-10-08, D-6100 Darmstadt 11, Fed. Rep. Ger.) V.1- 1964- Volume(issue)/page/year: 17,305,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
427 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARTODN Archives of Toxicology. (Springer-Verlag, Heidelberger Pl. 3, D-1000 Berlin 33, Fed. Rep. Ger.) V.32- 1974- Volume(issue)/page/year: 40,211,1978
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPHAA3 Journal of the American Pharmaceutical Association. (Washington, DC) V.1-28, 1912-39; New series: V.1-17, 1961-77. Volume(issue)/page/year: 23,788,1934
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
464 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCILB* Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. (Bethesda, MD) Volume(issue)/page/year: NCI-E-C-72-3252,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
832 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CEXPB9 Clinical and Experimental Pharmacology and Physiology. (Blackwell Scientific Publications, (Australia) Pty Ltd., 107 Barry St., Carlton, Vic. 3053, Australia) V.1- 1974- Volume(issue)/page/year: 3,443,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
450 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,278,1989
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1292,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1293,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
SAPHAO Skandinavisches Archiv fuer Physiologie. (Stockholm, Sweden) V.1-83, 1899-1940. For publisher information, see APSCAX. Volume(issue)/page/year: 28,193,1913
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
1667 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1293,1935 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84796 No. of Facilities: 43 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 85 (estimated)

海关数据查看详细

中国海关编码:2924210090

概述:
2924210090 其他酰脲及其衍生物以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924210090 other ureines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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:2

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:5

6.拓扑分子极性表面积:72.2

7.重原子数量:12

8.表面电荷:0

9.复杂度:190

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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