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40899-71-6

40899-71-6 Structure

40899-71-6 Structure
IdentificationMore
[Name]

1-(PHENYLSULFONYL)INDOLE
[CAS]

40899-71-6
[Synonyms]

1-BENZENESULFONYL-1H-INDOLE
1-BENZENESULPHONYLINDOLE
1-(PHENYLSULFONYL)-1H-INDOLE
1-(PHENYLSULFONYL)INDOLE
1-(PHENYLSULPHONYL)INDOLE
N-PHENYLSULFONYLINDOLE
L-Phenylsulfonylindole
1-(benzenesulfonyl)indole
Phenyl(1H-indole-1-yl) sulfone
[EINECS(EC#)]

642-614-7
[Molecular Formula]

C14H11NO2S
[MDL Number]

MFCD00134318
[Molecular Weight]

257.31
[MOL File]

40899-71-6.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white to pink crystalline powder
[Melting point ]

78-80 °C(lit.)
[Boiling point ]

192°C 3mm
[density ]

1.26±0.1 g/cm3(Predicted)
[Fp ]

192°C/3mm
[storage temp. ]

Sealed in dry,Room Temperature
[Detection Methods]

HPLC
[BRN ]

1286712
[InChI]

InChI=1S/C14H11NO2S/c16-18(17,13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)15/h1-11H
[InChIKey]

VDWLCYCWLIKWBV-UHFFFAOYSA-N
[SMILES]

N1(S(C2=CC=CC=C2)(=O)=O)C2=C(C=CC=C2)C=C1
[CAS DataBase Reference]

40899-71-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

29339900
Hazard InformationBack Directory
[Chemical Properties]

Off-white to pink crystalline powder
[Uses]

Reactant for preparation of:
  • Antiplasmodial agents
  • Antifungal agents
  • Anti HIV-1 agents
  • Agonists of the histamine H4 receptor
  • Antibacterial agents
  • Camalexin analogs
  • CDK inhibitors and cytotoxic agents
  • Histone Deacetylase inhibitors
[Definition]

ChEBI: 1-(benzenesulfonyl)indole is a sulfonamide.
[Synthesis Reference(s)]

Synthesis, p. 136, 1979
Tetrahedron Letters, 29, p. 2151, 1988 DOI: 10.1016/S0040-4039(00)86696-4
Spectrum DetailBack Directory
[Spectrum Detail]

1-(PHENYLSULFONYL)INDOLE(40899-71-6)1HNMR
1-(PHENYLSULFONYL)INDOLE(40899-71-6)IR
1-(PHENYLSULFONYL)INDOLE(40899-71-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-(Phenylsulfonyl)indole, 99%(40899-71-6)
[Alfa Aesar]

1-(Phenylsulfonyl)indole, 98%(40899-71-6)
[Sigma Aldrich]

40899-71-6(sigmaaldrich)
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