Tert-Butylurea 叔丁脲

CAS 1118-12-3 MFCD00025448

化学结构图

1118-12-3
SMILES: CC(C)(C)NC(N)=O

化学属性

Mol. Formula(CH3)3CNHCONH2
Mol. Weight116.16
Melting Point~185 °C (dec.)
Appearance 从水或醇中析出针状结晶。熔点172℃（分解），也有报道183-184℃（分解）。

别名和识别编码

Chemical NameTert-Butylurea
Beilstein Registry Number1744501
PubChem Substance ID14233
CAS Number1118-12-3
EC Number214-257-3
MDL NumberMFCD00025448
Synonym N-TERT-BUTYLUREA (1,1-Dimethylethyl)urea N-tert-butylurea mono-tert-butylurea tert-Butylurea 1-tert-Butylisourea mono-tert-butylurea 1,1-Dimethylethylurea N-(1,1-dimethylethyl)urea TERT-BUTYLUREA TIMTEC-BB SBB008606 N-tert.-Butylharnstoff (1,1-dimethylethyl)-ure Urea, tert-butyl- urea,1,1-dimethylethyl- 叔丁脲 tert-Butylharnstoff tert-butyl-urea Urea, (1,1-dimethylethyl)- N-2-Mefhyl-2-propylurea urea, 1,1-dimethylethyl- (1,1-Dimethyl-ethyl)urea (1,1-dimethylethyl)urea 叔丁基脲 tert-butylurea N-叔丁基脲 TERT-BUTYLUREA (MONO) 1-tert-Butylurea Urea, tert-butyl- tert-butyl-ure
Chemical Name Translation叔丁脲
Wiswesser Line NotationZVMX1&1&1
InChIKeyJLEHSYHLHLHPAL-UHFFFAOYSA-N
InChIInChI=1S/C5H12N2O/c1-5(2,3)7-4(6)8/h1-3H3,(H3,6,7,8)
LabNetwork Molecule IDLN01324332
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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
  • {uni_hamburg} no charge; urea; 1fragment

相关文献及参考

  • Beil. 4 ,IV,665
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany2
RTECSYS3680000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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；
Hazard Codes Xn
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3050 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 219,103,1976

其他信息

  • 类别:有毒物质
  • 用途一:医药中间体。
  • 毒性分级:中毒
  • 方法一:由叔丁醇与脲缩合而得。
  • 急性毒性:口服-小鼠 LD50: 3050 毫克/公斤
  • Sigma Aldrich:1118-12-3(sigmaaldrich)
  • Acros Organics:叔丁基脲 tert-Butylurea, 98%(1118-12-3)
  • 灭火剂:水, 泡沫, 二氧化碳, 干粉
  • MOL 文件:1118-12-3.mol
  • 可燃性危险特性:热分解排出有毒氮氧化物烟雾
  • 储运特性:库房通风低温干燥
  • 下游产品:叔丁胺
  • 图谱信息:叔丁脲 (1118-12-3)质谱(MS) 叔丁脲 (1118-12-3)红外图谱(IR1) 叔丁脲 (1118-12-3)红外图谱(IR2)

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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