1-(2-Bromoisovaleryl)Urea 1-(2-溴异戊酰)脲

CAS 496-67-3 MFCD00047873

化学结构图

496-67-3
SMILES: CC(C)C(Br)C(=O)NC(N)=O

化学属性

Mol. FormulaC6H11BrN2O2
Mol. Weight223
Appearance 白色针状结晶。熔点147-149℃，溶于醇、醚、丙酮，不溶于冷水。易溶于热水。无臭，味微苦。
Melting Point151.0 to 155.0 deg-C

别名和识别编码

Chemical Name1-(2-Bromoisovaleryl)Urea
MDL NumberMFCD00047873
CAS Number496-67-3
Reaxys-RN1773255
Beilstein Registry Number3(3)123
PubChem Substance ID2447
Merck Number1397
EC Number207-825-7
Synonym (2-bromo-3-methylbutyryl)-ure (alp (alpha-Bromo-.beta,beta.-dimethylpropanoyl)urea (alpha-Bromoisovaleryl)urea 1- 2-Bromisovalerylmocovina 2-Bromo-3-Methylbutyrylurea 2-Bromo-3-methylbutyrylurea deaux Ba 2-Bromo-isovaleryl urea 2-Monobromoisovalerylurea A-(BROMOISOVALERYL)UREA Abroval Alluval Alural BROMISOVAL BROMO-ISO-VALERYLUREA (ALPHA) BROMOISOVALERYLUREA BROMOVALERYLUREA Bromaral Bromcarbamide Bromisoval Bromisovalerylurea Bromisovalum Bromizoval Bromocarbamide Bromoisovalum Bromoval Bromovaler Bromovalerocarbamide Bromoxil Bromural Bromuvan Bromvalerylurea Bromvaletone Bromvaletonum Bromvalurea Brovalin Brovalurea Brovarin Calmo Dagrabromyl Dibroluur Isobromyl LABOTEST-BB LT00134620 Monobromoisolvalerylurea N-(2-Bromo-3-methylbutanoyl)urea N-(2-溴-3-甲基丁酰)脲 N-(Aminocarbonyl)-2-b Pivadorn RARECHEM AX KI 5046 Somnurol Upiol Uvaleral alpha-Bromisovalerylurea alpha-Bromo-beta-dimethylpropanoylurea alpha-Bromoisovaleric acid ureide alpha-Bromoisovaleroylurea {} {Ch {} {h α-溴代异戊酰脲 α-溴异戊酰脲 布洛母拉 溴异戊脲 溴梦拉 溴米索伐 溴米索伐(溴米那) 溴米那
Chemical Name Translation1-(2-溴异戊酰)脲
Wiswesser Line NotationZVMVYEY1&1
LabNetwork Molecule IDLN01278676
InChIInChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
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分类

  • {SNA} Amides, Amines, Building Blocks, C2 to C7, C6, Carbonyl Compounds, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Ureas
  • Amides, Amines, Building Blocks, C6, Carbonyl Compounds, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks, Ureas

安全信息

RTECSYS3150000
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
GHS Symbol 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1 gm/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: 4,1289,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,1213,1995

{

TYPE OF TEST            :

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 7,262,1948

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - coma
   Gastrointestinal - nausea or vomiting
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   1,1238,1955

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details

WGK Germany3
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害

其他信息

  • 可燃性危险特性:热分解排出有毒溴化物和氮氧化物烟雾
  • 储运特性:库房通风低温干燥
  • 急性毒性:口服-大鼠 LD50: 1000 毫克/公斤; 口服-小鼠 LD50: 2000 毫克/公斤
  • 毒性分级:中毒
  • 溴米索伐价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B2842 1-(2-溴异戊酰)脲 1-(2-Bromoisovaleryl)urea 500G 2600元 2014/06/02 B2842 1-(2-溴异戊酰)脲 1-(2-Bromoisovaleryl)urea 25G 377元
  • 上游原料:红磷 --> 异戊醇 --> 异戊酸 --> 2-溴-3-甲基丁酰溴
  • 类别:有毒物质
  • TCI Shanghai:1-(2-溴代异戊酰)脲 1-(2-Bromoisovaleryl)urea,>;98.0%(T)(496-67-3)
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 图谱信息:溴米索伐(496-67-3)红外图谱(IR2) 溴米索伐(496-67-3)红外图谱(IR1)
  • MOL 文件:496-67-3.mol
  • 用途一:该品具有镇静和轻度催眠作用，服后5分钟即显效，作用时间持续4h，无习惯性，可制成粉、片剂及注射剂。
  • 方法一:以异戊醇为原料，先氧化生成异戊酸，再溴化生成α-溴代异戊酰溴，最后与尿素缩合生成溴异戊脲。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ureas - Carbonyl Compounds
  1. Functional Group 官能团索引
  2. carboxylic acid imide, N-unsubstituted

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