2-Cyano-3’-(Trifluoromethyl)Acetophenone 3-三氟甲基苯甲酰乙腈

CAS 27328-86-5 MFCD00052315

化学结构图

27328-86-5
SMILES: N#CCC(=O)C1C=C(C=CC=1)C(F)(F)F

化学属性

Mol. FormulaC10
Mol. Weight213
Melting Point64-66°
TSCANo

别名和识别编码

Chemical Name2-Cyano-3’-(Trifluoromethyl)Acetophenone
CAS Number27328-86-5
Alfabeta NameOXOTRIFLUOROMETHYLPHENYLPROPANENITRILE 333[]()----
MDL NumberMFCD00052315
EC Number000-000-0
Beilstein Registry Number2373428
Synonym 3-(Trifluoromethyl)benzoylacetonitrile
Chemical Name Translation3-三氟甲基苯甲酰乙腈
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分类

  • {KO} Nitriles
  • {KO} Ketones
  • {SNA} Building Blocks, C10, C10 to C27, Carbonyl Compounds, Chemical Synthesis, Cyanides/Nitriles, Fluorinated Building Blocks, Ketones, Nitrogen Compounds, Organic Building Blocks, Organic Fluorinated Building Blocks, Trifluoromethyl

相关文献及参考

安全信息

Warnings IRRITANT
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
WGK Germany3

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 Donors
0
H-bond Acceptors
2
Rotatable Bonds
2
LogP
2

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. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C10 to C27 - Cyanides/Nitriles