3-(Trifluoroacetyl)Indole 3-(三氟乙酰基)吲哚

CAS 14618-45-2 MFCD00182114

化学结构图

14618-45-2
SMILES: O=C(C1=CNC2C=CC=CC=21)C(F)(F)F

化学属性

Mol. FormulaC10H6F3NO
Mol. Weight213.16
Melting Point211.0 to 216.0 deg-C

别名和识别编码

Chemical Name3-(Trifluoroacetyl)Indole
CAS Number14618-45-2
Alfabeta NameTRIFLUOROINDOLYLETHANONE H2221131()--------,,
MDL NumberMFCD00182114
Synonym 3-(三氟乙酰基)吲哚 2,2,2-三氟-1-(1H-吲哚-3-基)-1-乙酮 3-Indolyl trifluoromethyl ketone
PubChem Substance ID87577541
Reaxys-RN181739
Beilstein Registry Number21(3/4)3777
Chemical Name Translation3-(三氟乙酰基)吲哚
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分类

  • {SNA} Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Indoles
  • Building Blocks, C10, Chemical Synthesis, Heterocyclic Building Blocks, Indoles

相关文献及参考

  • 1. Trost, B., M.; et al. J. Am. Chem. Soc. 132 , 15800, (2010)
  • 2. Park, C., M.; et al. Bioorg. Med. Chem. Lett. 18 , 3844, (2008)
  • 3. Hopkins, C., R.; et al. Bioorg. Med. Chem. Lett. 15 , 2734, (2005)
  • 4. Reddy, M., V., R.; et al. J. Org. Chem. 67 , 5382, (2002)
  • 5. assinger, H., L.; Tetrahedron Lett. 39 , 3095, (1998)
  • Beil. 21 ,IV,3777
  • FT-IR 2 (3), 3587:D / Structure Index 1 , 382:E:4

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P337+P313
  • P302+P352+P332+P313+P362+P364
Signal word Warning {} {} {} {TCI}
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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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 Wear suitable protective clothing 穿戴适当的防护服;
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

药物吸收、分布、代谢与排泄(ADME)

H-bond Acceptors
1
Rotatable Bonds
1
H-bond Donors
1
LogP
2

系列性分类


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