3-(Trifluoromethyl)cyclohexanone 3-(三氟甲基)环己酮

CAS 585-36-4 MFCD00034662

化学结构图

585-36-4
SMILES: O=C1CCCC(C(F)(F)F)C1

化学属性

Mol. FormulaC7H9F3O
Mol. Weight166
Boiling Point61-62°/20mm
Density1.212 g/mL at 25 °C
Refractive indexn20/D 1.400
TSCANo

别名和识别编码

Chemical Name3-(Trifluoromethyl)cyclohexanone
CAS Number585-36-4
Alfabeta NameTRIFLUOROMETHYLCYCLOHEXANONE 3()-
MDL NumberMFCD00034662
Synonym (R,S)-3-Trifluoromethyl-cyclohexanone 3-(Trifluoromethyl)cyclohexanone {} {uni_hamburg}
Chemical Name Translation3-(三氟甲基)环己酮
PubChem Substance ID2779355
LabNetwork Molecule IDLN00115825
InChIInChI=1S/C7H9F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h5H,1-4H2
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ketone; racemate; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Fluorinated Building Blocks, Ketones, New Products for Chemical Synthesis, Organic Building Blocks, Organic Fluorinated Building Blocks, Trifluoromethyl
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Fluorinated Building Blocks, Ketones, Organic Building Blocks, Organic Fluorinated Building Blocks, Trifluoromethyl

相关文献及参考

  • Short: III/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CO-ROM's.

安全信息

Warnings IRRITANT, FLAMMABLE
WGK Germany3
GHS Symbol
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。
  • 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。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
Signal word Warning
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;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S37 Wear suitable gloves 戴适当手套;
Packing GroupIII
UN Number UN1224
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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R10 Flammable 易燃
Hazard Codes Xi

系列性分类


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