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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  5. C10 - Indoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Indoles
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Plant Growth Regulators

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