77-65-6

• 常用中文名：乙溴酰脲
• 常用英文名：(2-bromo-2-ethylbutyryl)urea
• CAS号：77-65-6
• 分子式：C₇H₁₃BrN₂O₂
• 分子量：237.09400
• 相关类别： 无机化工 无机盐 磷化物、金属的磷酸、偏磷酸、次磷酸和焦磷酸盐
• 发布时间：2018-02-21 08:00:00
• 更新时间：2026-07-23 10:08:33
• Carbromal (Adalin; Adisomnol) 是一种镇静剂,具有中枢抑制作用。

名称

• 中文名: 乙溴酰脲
• 英文名: 2-bromo-N-carbamoyl-2-ethylbutanamide
• 中文别名: 卡溴脲检测标准品; 二乙溴乙酰脲; 卡溴脲*5; 卡溴脲; 乙腈水中卡溴脲溶液标准物质; 2-溴-2-乙基丁醯脲; 卡波麻; 阿达林; 阿大靈; 乙基溴米那
• 英文别名: 1-Bromo-ethyl-butyryl-urea; URADAL; Pkosed; Bromodiethylacetylcbamide; NSC49191; Ktryl; 2-bromo-N-cbamoyl-2-ethylbutanamide; Karbromal; Hoggar; CARBROMAL; Dormiturin; alpha-ethyl-alpha-bromobutyrylurea; 2-bromo-N-cbamoyl-2-ethyl-butyramide; Diacid; Butanamide, N-(aminocbonyl)-2-bromo-2-ethyl; 2-Brom-2-ethylbutyrylmocovina; Nictal; (A-BROMO-A-ETHYLBUTYRYL)CBAMIDE; component of Cbrital; Bromodiacetylurea; n-(aminocbonyl)-2-bromo-2-ethyl-butanamide; 2-bromo-2-ethylurea; N-(Aminocbonyl)-2-bromo-2-ethylbutanamide; NSC-49191; n-(aminocbonyl)-2-bromo-2-ethyl-butanamid; Pelidorm; Bromodiethylacetylurea; (alpha-Bromo-alpha-ethylbutyryl)urea; NCI-C03805; NYCTAL; (alpha-Ethyl-alpha-bromobutyryl)urea; Bromacetocbamide; Pianadalin; PLANADALIN; Adalin; BROMADAL; Kbromal; UREA,(2-BROMO-ETHYLBUTYRYL); BROMODIETHYLACETYLUREA; Bromdiethylacetylurea; CBROMAL; (alpha-Bromo-alpha-ethylbutyryl)cbamide; Hogg; (2-bromo-ethylbutyryl)-ure; TILDIN; alpha.-Bromo-alpha-ethylbutyrylurea; Adisomnol; Addisomnol; Bromadel; (2-BROMO-2-ETHYLBUTYRYL)UREA; Nenesin; Bromadal; (2-bromo-2-ethylbutyryl)-ure; (2-BROMO-2-ETHYLBUTYRYL)UREA //BP; N-(2-Bromo-2-ethylbutanoyl)urea; Fydalin

物化性质

• 密度: 1.445g/cm3
• 熔点: 118ºC
• 分子式: C₇H₁₃BrN₂O₂
• 分子量: 237.09400
• 精确质量: 236.01600
• PSA: 72.19000
• LogP: 2.22620
• 外观性状: 白色结晶粉末
• 折射率: 1.513
• 储存条件: 库房通风低温干燥,与食品原料分开存放
• 稳定性: Stable. Combustible. Incompatible with acids, alkalies, strong oxidizing agents.
• 计算化学:

  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

生物活性

• 描述: Carbromal (Adalin; Adisomnol) 是一种镇静剂,具有中枢抑制作用。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 神经疾病
• 参考文献:

  [1]. Carbromal

毒性和生态

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)

安全

• 海关编码: 2924210090

合成路线

海关

海关编码	2924210090
中文概述	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
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%