ChemicalBook--->CAS DataBase List--->80-42-2

80-42-2

80-42-2 Structure

80-42-2 Structure
IdentificationBack Directory
[Name]

propyl benzenesulphonate
[CAS]

80-42-2
[Synonyms]

Nsc 3216
Ccris 9162
Einecs 201-278-8
Propyl benzenesulfonate
propyl benzenesulphonate
n-Propyl Benzenesulfonate
Benzenesulfonic acid propyl ester
[EINECS(EC#)]

201-278-8
[Molecular Formula]

C9H12O3S
[MDL Number]

MFCD00996025
[MOL File]

80-42-2.mol
[Molecular Weight]

200.25
Chemical PropertiesBack Directory
[Boiling point ]

307.98°C (rough estimate)
[density ]

1.1804
[refractive index ]

1.5035 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[Stability:]

Moisture Sensitive
[InChI]

InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
[InChIKey]

OCNPXKLQSGAGKT-UHFFFAOYSA-N
[SMILES]

C1(S(OCCC)(=O)=O)=CC=CC=C1
[EPA Substance Registry System]

Benzenesulfonic acid, propyl ester (80-42-2)
Safety DataBack Directory
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

Butyl Benzenesulfonate is an aryl-sulfonate genotoxic impurity found in trace levels in drug substances.
Spectrum DetailBack Directory
[Spectrum Detail]

propyl benzenesulphonate(80-42-2)1HNMR
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