2-(Propan-2-ylidene)hydrazinecarboxamide 2-(丙烷-2-亚基)肼甲​​酰胺

CAS 110-20-3 MFCD00014785

化学结构图

110-20-3
SMILES: CC(C)=NNC(N)=O

化学属性

Mol. FormulaC4H9N3O
Mol. Weight115.13
Melting Point189-190 °C
TSCAYes
Appearance 丙酮缩氨脲 (110-20-3)为白色粉末。熔点188℃。能溶于醇，醚和热水中，微溶于水。
Density1.17
Boiling Point215.41 °C at 760 mmHg

别名和识别编码

Chemical Name2-(Propan-2-ylidene)hydrazinecarboxamide
MDL NumberMFCD00014785
CAS Number110-20-3
Synonym 2-(Propan-2-ylidene)hydrazinecarboxamide {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Propan-2-ylidene)hydrazinecarboxam
EC Number203-746-7
Merck Number14,8444
Beilstein Registry Number970110
Reaxys-RN970110
PubChem Substance ID87561758
Chemical Name Translation2-(丙烷-2-亚基)肼甲​​酰胺
Wiswesser Line NotationZVMNUY1&1
InChIKeyHQDAJGNZGNZGCO-UHFFFAOYSA-N
LabNetwork Molecule IDLN00241248
InChIInChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
Canonical SMILESNC(N/N=C(C)/C)=O
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分类

  • {uni_hamburg} no charge; urea; 1fragment

产品应用

  • 用于生产药物呋喃坦丁的中间体。

相关文献及参考

  • Short: II/27B
  • Short: EINECS
  • Merck:14,8444
  • Merck:14,8444 Beilstein:3(4)179

安全信息

RTECSAL7175000
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
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。
  • 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。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 90 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 122,110,1958

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Alfa Aesar:丙酮缩氨脲,96% Acetone semicarbazone, 96%(110-20-3)
  • Sigma Aldrich:110-20-3(sigmaaldrich)
  • 储运特性:库房通风低温干燥
  • 用途一:该品用于生产药物呋喃坦丁的中间体。
  • 毒性分级:中毒
  • 类别:有毒物品
  • 用途二:用于生产药物呋喃坦丁的中间体。
  • 上游原料:氨基脲
  • 方法一:以水合肼及尿素为原料，缩合得氨基脲液，再与丙酮综合，精制得成品。将水合肼与尿素混合，加热至97-104℃，回流6-7h。降温至45℃，过滤，得氨基脲液。将滤液冷至25℃，加入丙酮，自然升温50-60℃，保温1h。冷至20℃以下，过滤，滤饼干燥，得丙酮缩氨脲。重量配料比为：水合肼（40%）：尿素：丙酮=1：0.67：0.56。收率90%。作为中间体，外观为白色粉末，熔点185-189℃。原料消耗定额：水合肼（40%）300kg/t、尿素（工业品）870kg/t、丙酮（工业品）720kg/t。
  • 急性毒性:静脉- 小鼠 LD50: 90 毫克/ 公斤
  • 图谱信息:丙酮缩氨脲 (110-20-3)红外图谱(IR2) 丙酮缩氨脲 (110-20-3)Raman光谱 丙酮缩氨脲 (110-20-3)核磁图( 1 HNMR) 丙酮缩氨脲 (110-20-3)质谱(MS) 丙酮缩氨脲 (110-20-3)红外图谱(IR1)
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • MOL 文件:110-20-3.mol
  • TCI Shanghai:丙酮缩氨基脲 Acetone Semicarbazone(110-20-3)
  • 能溶于醇，醚和热水中，微溶于水。
  • 可燃性危险特性:可燃; 加热分解释放有毒氮氧化物烟雾

系列性分类

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