3,5-Dimethylisoxazole 3,5-二甲基异噁唑

CAS 300-87-8 MFCD00003156

化学结构图

300-87-8
SMILES:

化学属性

Mol. FormulaC5H7NO
Mol. Weight97.12
Density0.990
Refractive index1.4400 to 1.4430
Boiling Point144.1°C at 760 mmHg
Flash Point31°C
Solubility不溶
TSCAYes
Melting Point-14 °C
pH:A

别名和识别编码

Chemical Name3,5-Dimethylisoxazole
CAS Number300-87-8
Alfabeta NameDIMETHYLISOXAZOLE 35-,
MDL NumberMFCD00003156
Synonym 3,5-Dimethylisoxazole {LY} 3,5-Dimethylisoxazole {} {LY} 3,5-Dimethylisoxazole {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylisoxazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimet
EC Number206-100-2
Beilstein Registry Number106324
PubChem Substance ID87568237
Reaxys-RN106324
Chemical Name Translation3,5-二甲基异噁唑
InChIKeyFICAQKBMCKEFDI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00175227
Canonical SMILESCC1=CC(C)=NO1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoxazoles
  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; aromatic; 5ring; 1fragment

相关文献及参考

  • Short: II/27B
  • Review: Reaction of 3,5-dimethylisoxazole with some electrophiles: Heterocycles, 6, 805 (1977).
  • Short: II/27C
  • Lithiation occurs first at the 5-methyl group. Subsequent reaction with electrophiles can be followed by further lithiation of the 3-methyl, providing a route to substituted isoxazoles, and also to 1,3-diketones by acid hydrolysis or ß-aminoketones by hydrogenolysis: Tetrahedron Lett., 22, 3699 (1981):

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P211 Do not spray on an open flame or other ignition source.? 不要喷洒在明火或其他点火源。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNY2774200
Packing GroupIII
UN Number 1993
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class3
Hazard Codes 3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 880 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   DPHFAK Dissertationes Pharmaceuticae et Pharmacologicae.  (Warsaw, Poland)
   V.18-24, 1966-72.  For publisher information, see PJPPAA.
   Volume(issue)/page/year: 18,19,1966

系列性分类