ChemicalBook--->CAS DataBase List--->6214-18-2

6214-18-2

6214-18-2 Structure

6214-18-2 Structure
IdentificationBack Directory
[Name]

Isopropyl Benzenesulfonate
[CAS]

6214-18-2
[Synonyms]

Isopropyl Besylate
BENZENESULPHONICACIDISOPROPYLESTER
Benzenesulfonic Acid Isopropyl Ester
Benzenesulfonic Acid 1-Methylethyl Ester
[Molecular Formula]

C9H12O3S
[MDL Number]

MFCD04038771
[MOL File]

6214-18-2.mol
[Molecular Weight]

200.25
Chemical PropertiesBack Directory
[Appearance]

Colorless Oil
[Boiling point ]

155 °C(Press: 7 Torr)
[density ]

1.145 g/cm3
[RTECS ]

DB7151080
[refractive index ]

1.5020
[storage temp. ]

Refrigerator
[solubility ]

Soluble in chloroform and ethyl acetate.
[form ]

Liquid
[color ]

Colorless to pale yellow
[InChI]

InChI=1S/C9H12O3S/c1-8(2)12-13(10,11)9-6-4-3-5-7-9/h3-8H,1-2H3
[InChIKey]

YQZZXXKFKTWDPY-UHFFFAOYSA-N
[SMILES]

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

6214-18-2
Hazard InformationBack Directory
[Chemical Properties]

Colorless Oil
[Uses]

A sulfonate ester as potential genotoxic impurity in drug substances.
[storage]

Store at -20°C
Safety DataBack Directory
[HS Code ]

2904100090
Spectrum DetailBack Directory
[Spectrum Detail]

Isopropyl Benzenesulfonate(6214-18-2)1HNMR
Isopropyl Benzenesulfonate(6214-18-2)1HNMR
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