ChemicalBook--->CAS DataBase List--->52499-94-2

52499-94-2

52499-94-2 Structure

52499-94-2 Structure
IdentificationMore
[Name]

PENTAMETHYLBENZENESULFONYL CHLORIDE
[CAS]

52499-94-2
[Synonyms]

2,3,4,5,6-PENTAMETHYLBENZENE-1-SULFONYL CHLORIDE
PENTAMETHYLBENZENESULFONYL CHLORIDE
PENTAMETHYLBENZENESULPHONYL CHLORIDE
2,3,4,5,6-pentamethylbenzene-1-sulphonyl chloride
PENTAMETHYLBENZENESULFONYL CHLORIDE, 98+%
Pentamethylbenzenesulphonyl chloride, 98+%
[EINECS(EC#)]

257-968-4
[Molecular Formula]

C11H15ClO2S
[MDL Number]

MFCD00014722
[Molecular Weight]

246.75
[MOL File]

52499-94-2.mol
Chemical PropertiesBack Directory
[Melting point ]

81-85 °C(lit.)
[Boiling point ]

362.5±42.0 °C(Predicted)
[density ]

1.189±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

crystalline solid
[color ]

Off white to dark grey
[Sensitive ]

Moisture Sensitive
[BRN ]

2844881
[InChI]

1S/C11H15ClO2S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3
[InChIKey]

VDBXRBKVRRJRRW-UHFFFAOYSA-N
[SMILES]

Cc1c(C)c(C)c(c(C)c1C)S(Cl)(=O)=O
[CAS DataBase Reference]

52499-94-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

2930909899
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Hazard InformationBack Directory
[Uses]

Pentamethylbenzenesulfonyl chloride is used as a reactant in the preparation of benzosultam derivatives via chlorosulfonylation of benzene derivatives followed by azide substitution and cobalt-porphyrin-catalyzed amination/cyclization.
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Pentamethylbenzenesulfonyl chloride, 98+%(52499-94-2)
[Sigma Aldrich]

52499-94-2(sigmaaldrich)
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