1-(3-Chlorothiophen-2-Yl)Ethan-1-One 1-(3-氯噻吩-2-基)乙-1-酮

CAS 89581-82-8 MFCD00794248

化学结构图

89581-82-8
SMILES: CC(=O)C1SC=CC=1Cl

化学属性

Mol. FormulaC6H5ClOS
Mol. Weight160.62
Melting PointOil
Refractive index1.5840
TSCANo
Boiling Point117-118°/15mm
Density1.339 g/mL at 25 °C(lit.)

别名和识别编码

Chemical Name1-(3-Chlorothiophen-2-Yl)Ethan-1-One
CAS Number89581-82-8
Alfabeta NameCHLOROTHIENYLETHANONE 1321()------
MDL NumberMFCD00794248
Beilstein Registry Number10307002
Synonym 2-Acetyl-3-chlorothiophene
Chemical Name Translation1-(3-氯噻吩-2-基)乙-1-酮
PubChem Substance ID329778014
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分类

  • {KO} Ketones
  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiophenes

安全信息

Warnings IRRITANT
Packing GroupIII
UN Number UN2810
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
WGK Germany3
GHS Symbol
Signal word Warning
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Hazard Codes Xn

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 Acceptors
1
Rotatable Bonds
1
H-bond Donors
0
LogP
1

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. Thiophenes 噻吩
  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. Thiophenes 噻吩
  5. C4 to C6 - Thiophenes

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