N-Allylurea 烯丙基脲

CAS 557-11-9 MFCD00007954

化学结构图

557-11-9
SMILES: C=CCNC(N)=O

化学属性

Mol. FormulaC4H8N2O
Mol. Weight100.12
Melting Point84-86 °C
SolubilitySoluble in water, alcohol. Practically insoluble in chloroform, ether, toluene, carbon disulfide
TSCAYes
Appearance 白色针状结晶。熔点85℃。易溶于水和乙醇，微溶于乙醚及氯仿，几乎不溶于石油醚、苯和二硫化碳。易潮解。
Boiling Point168 °C at 760 mmHg

别名和识别编码

Chemical NameN-Allylurea
Beilstein Registry Number4(4)1070
PubChem Substance ID87561898
CAS Number557-11-9
EC Number209-157-1
MDL NumberMFCD00007954
Reaxys-RN1745068
Merck Number298
Synonym N-Allylurea {LY} N-Allylurea {} {LY} N-Allylurea {} {} {LY} N-Allylurea {} {} {} {LY} N-Allylurea {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Allylurea {} {} {} {} {} {} {} {}
Chemical Name Translation烯丙基脲
Wiswesser Line NotationZVM2U1
LabNetwork Molecule IDLN00239793
InChIInChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
Canonical SMILESC=CCNC(N)=O
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分类

  • Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Ureas
  • {SNA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks, Ureas

相关文献及参考

  • Merck 14 ,298
  • Beil. 4 ,IV,1070
  • Aldrich MSDS 1 , 49:D / Corp MSDS 1 (1), 107:D / FT-IR 2 (1), 1359:C / FT-IR 1 (1), 800:D / FT-NMR 1 (1), 1308:B / IR-Spectra (3), 474:H / IR-Spectra (2), 421:D / NMR-Reference 2 (1), 671:C / RegBook 1 (1), 939:M / Sax 6 , 173 / Sigma FT-IR 1 (2), 251:C / Structure Index 1 , 146:D:3

安全信息

Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P330
  • P302+P350
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H332 Harmful if inhaled 吸入有害
Hazard Codes Xn
RTECSYR7875000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R37 Irritating to respiratory system 刺激呼吸道
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°C) {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1070 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AECTCV Archives of Environmental Contamination and Toxicology.
   (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ
   070944)  V.1-    1973-  Volume(issue)/page/year: 14,111,1985

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,47,1953

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   19(Suppl 21),2,1992

其他信息

  • 急性毒性:口服-大鼠LD50: 250 毫克/公斤;口服-小鼠 LDL0: 1070 毫克/公斤
  • 类别:农药
  • 毒性分级:高毒
  • 用途一:用于烯丙基硫脲的合成，作防腐剂。
  • 上游原料:尿素 --> 正氰酸 --> 烯丙胺
  • MOL 文件:557-11-9.mol
  • 图谱信息:烯丙基脲(557-11-9)核磁图( 1 HNMR) 烯丙基脲(557-11-9)核磁图( 13 CNMR) 烯丙基脲(557-11-9)质谱(MS) 烯丙基脲(557-11-9)红外图谱(IR2) 烯丙基脲(557-11-9)红外图谱(IR1)
  • Alfa Aesar:N-丙烯酰硫脲,95% N-Allylurea, 95%(557-11-9)
  • TCI Shanghai:烯丙基脲 Allylurea,>;98.0%(T)(557-11-9)
  • 储运特性:库房通风低温干燥; 与食品原料分开存放
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • Acros Organics:烯丙基脲 Allylurea, 95%(557-11-9)
  • Sigma Aldrich:557-11-9(sigmaaldrich)
  • 方法一:由烯丙胺，尿素与盐酸缩合而得，将尿素、烯丙胺、浓盐酸和水混匀后，加热回流3h。减压浓缩，冷却，析出结晶。过滤，用乙醇洗涤即得粗品，再用水重结晶得成品。另一种制备方法是由烯丙胺和四异氰酸硅反应实验室操作如下：在250ml三颈烧瓶中，放放3.92g（0.02mol）四异氰酸硅和120ml干燥苯，装上回流冷凝器，搅拌器和滴液漏斗。开动搅拌，由滴液漏斗加入4.6g（0.08mol）烯丙胺和20ml干燥苯配成的溶液（若反应过于剧烈，可用冰浴冷却）。加料毕，加热回流30-45min。蒸去苯后，加入90ml异丙醇和100ml水，再回流30-45min。趁热用粗孔烧结玻璃漏斗过滤。用300ml丙酮洗涤滤饼（凝胶状的二氧化硅），洗液与滤液合并，蒸去溶剂。粗品用二倍异丙醇提纯（若需要时，可加入活性炭）。得烯丙基脲7.8-8g，产率97%-100%。
  • 烯丙基脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0237 烯丙基脲 Allylurea 25G 338元 2014/06/02 A0237 烯丙基脲 Allylurea 250G 2130元 2010/06/21 103050250 烯丙基脲 Allylurea 95% 25 GR 323元
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物烟雾

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

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