5,5-Dimethylhydantoin 5,5-二甲基海因

CAS 77-71-4 MFCD00005266

化学结构图

77-71-4
SMILES: CC1(C)NC(=O)NC1=O

化学属性

Mol. FormulaC5H8N2O2
Mol. Weight128.13
Melting Point175-180°C
Flash Point193°C
TSCAYes
Solubility可溶
Appearance 白色棱状体结晶或结晶性粉末。熔点175℃。可溶于水、己醇、乙酸乙酯、二甲醚,微溶于异丙酮、丙酮、甲乙酮,不溶于脂肪烃、三氯乙烯。无臭,能升华,呈酸性。
Boiling Point237.54 °C at 760 mmHg

别名和识别编码

Chemical Name5,5-Dimethylhydantoin
Synonym 5,5-Dimethylimidazolidine-2,4-dione {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5,5-Dimethylimidazolidine-2,4-dione {} {} {} {} {} {} {}
MDL NumberMFCD00005266
CAS Number77-71-4
PubChem Substance ID6491
Beilstein Registry Number2827
EC Number201-051-3
Chemical Name Translation5,5-二甲基海因
Reaxys-RN2827
Wiswesser Line NotationT5MVMV EHJ E1 E1
LabNetwork Molecule IDLN00224027
InChIInChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
Canonical SMILESO=C1NC(C(C)(N1)C)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Imidazolines/Imidazolidines

安全信息

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSMU0977000
WGK Germany2
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
GHS Symbol
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 8430 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - withdrawal
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 47(6),76,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 4,723,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 5600 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 46(5),69,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 15950 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - changes in structure or function of salivary glan

Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
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。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P302+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MSDS 信息:5,5-Dimethylhydantoin(77-71-4).msds
  • Alfa Aesar:5,5-二甲乙内酰脲,97% 5,5-Dimethylhydantoin, 97%(77-71-4)
  • 上游原料:碳酸铵 --> 丙酮氰醇
  • 图谱信息:5,5-二甲基海因(77-71-4)核磁图( 13 CNMR) 5,5-二甲基海因(77-71-4)质谱(MS) 5,5-二甲基海因(77-71-4)红外图谱(IR2) 5,5-二甲基海因(77-71-4)核磁图( 1 HNMR) 5,5-二甲基海因(77-71-4)Raman光谱 5,5-二甲基海因(77-71-4)红外图谱(IR1)
  • Sigma Aldrich:77-71-4(sigmaaldrich)
  • 用途二:用于氨基酸合成,还可作为特种环氧树脂和水溶性树脂、杀菌剂、防腐剂等。其衍生物如1,3-二氯-5,5-二甲基乙内酰脲可用作氯化剂、消毒杀菌剂,3-羟甲基-5,5-二甲基乙内酰脲可用作甲醛化剂、防腐剂等。
  • 5,5-二甲基海因价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0739 5,5-二甲基海因 5,5-Dimethylhydantoin 25G 118元 2014/06/02 D0739 5,5-二甲基海因 5,5-Dimethylhydantoin 500G 423元 2010/06/21 116310010 5,5-二甲基海因 5,5-Dimethylhydantoin 97% 1 KG 805元
  • 方法一:由丙酮氰醇([75-86-5])与碳酸铵水溶液在50-80℃进行反应而得。
  • MOL 文件:77-71-4.mol
  • 用途一:主要用作杀菌消毒剂、环氧树脂和氨基酸的原料
  • TCI Shanghai:5,5-二甲基海因 5,5-Dimethylhydantoin,>;98.0%(T)(77-71-4)
  • 下游产品:1,3-二溴-5,5-二甲基海因
  • Acros Organics:5,5-二甲基海因 5,5-Dimethylhydantoin, 97%(77-71-4)

系列性分类


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