2,4,6-Trichlorophenyl 4-methylbenzenesulfonate

CAS 7466-04-8 MFCD00422258

化学结构图

7466-04-8
SMILES: Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)cc1

化学属性

Mol. FormulaC13H9Cl3O3S
Mol. Weight351.63
Melting Point82-84°

别名和识别编码

Chemical Name2,4,6-Trichlorophenyl 4-methylbenzenesulfonate
Alfabeta NameTRICHLOROPHENYLMETHYLBENZENESULFONATE 2464--,,
MDL NumberMFCD00422258
CAS Number7466-04-8
Chemical Name Translation
LabNetwork Molecule IDLN00152469
PubChem Substance ID346074
InChIInChI=1S/C13H9Cl3O3S/c1-8-2-4-10(5-3-8)20(17,18)19-13-11(15)6-9(14)7-12(13)16/h2-7H,1H3
Synonym 2,4,6-Trichlorophenyl tosylate {LY} 2,4,6-Trichlorophenyl tosylate {} {LY} 2,4,6-Trichlorophenyl tosylate {} {} {LY} 2,4,6-Trichlorophenyl tosylate {} {} {} {LY} 2,4,6-Trichlorophenyl tosylate {} {} {} {} {LY} 2,4,6-Trichlorophenyl tosylate {} {} {} {} {} {LY} 2,4,6-Trichlorophenyl tosylate {} {} {} {} {} {} {LY} 2,4,6-Trichlorophenyl tosylate {} {} {} {} {} {} {} {LY} 2,4,6-Trichlorophenyl tosylate
Canonical SMILESClC1=C(OS(C2=CC=C(C)C=C2)(=O)=O)C(Cl)=CC(Cl)=C1
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分类

  • {KO} Misc

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
0

系列性分类

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