3-Oxabicyclo[3.1.0]hexane-2,4-dione 3-氧杂二环[3.1.0]己烷-2,4-二酮

CAS 5617-74-3 MFCD00126929

化学结构图

5617-74-3
SMILES: O=C1OC(=O)C2CC12

化学属性

Mol. FormulaC5H4O3
Mol. Weight112.08
Melting Point59-61°C
Boiling Point280.5°C at 760 mmHg

别名和识别编码

Chemical Name3-Oxabicyclo[3.1.0]hexane-2,4-dione
CAS Number5617-74-3
Alfabeta NameOXABICYCLOHEXANEDIONE 331024..[]---,
MDL NumberMFCD00126929
Synonym 3-Oxabicyclo[3.1.0]hexane-2,4-dione {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Oxabicyclo[3.1.0]hexane-2,4-dione {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID2734721
Chemical Name Translation3-氧杂二环[3.1.0]己烷-2,4-二酮
Reaxys-RN113493
LabNetwork Molecule IDLN00009564
InChIInChI=1S/C5H4O3/c6-4-2-1-3(2)5(7)8-4/h2-3H,1H2
Canonical SMILESO=C1OC(=O)C2C1C2
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分类

  • {KO} Misc
  • {SNA} Alicyclic/Etch-Resistant Monomers, Lithography Monomers, Micro/NanoElectronics, Self Assembly & Contact Printing, 材料科学
  • {SNA} Alicyclic/Etch-Resistant Monomers, Lithography Monomers, Materials Science, Micro/NanoElectronics, Self Assembly & Contact Printing
  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; alicycle; fused rings; 3ring; 5ring; 6ring; carbo-anhydride; 1fragment
  • {SNA} Alicyclic/Etch-Resistant Monomers, Lithography Mon

相关文献及参考

  • Short: III/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

安全信息

Warnings IRRITANT
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
GHS Symbol
Signal word
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。
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Storage condition 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} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
0
H-bond Donors
0
LogP
-2.003000000000000e-001

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. Ketones - Carbonyl Compounds
  1. Materials Science 材料科学
  2. Micro/NanoElectronics - Materials Science
  3. Self Assembly & Contact Printing - Micro/NanoElectronics
  4. Lithography Monomers - Self Assembly & Contact Printing
  5. Alicyclic/Etch-Resistant Monomers - Lithography Monomers

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