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2386-47-2

2386-47-2 Structure

2386-47-2 Structure
IdentificationMore
[Name]

1-Butanesulfonic acid
[CAS]

2386-47-2
[Synonyms]

1-BUTANESULFONIC ACID
butane-1-sulfonic acid
BUTANESULFONIC ACID
Butane-1-sulphonic acid
BUTANESULPHONICACID
[EINECS(EC#)]

219-198-7
[Molecular Formula]

C4H10O3S
[MDL Number]

MFCD00066381
[Molecular Weight]

138.19
[MOL File]

2386-47-2.mol
Chemical PropertiesBack Directory
[Melting point ]

-15.1°C
[Boiling point ]

223.6°C (rough estimate)
[density ]

1.1850
[refractive index ]

1.4640 (estimate)
[form ]

liquid
[pka]

1.92±0.50(Predicted)
[Stability:]

Incompatible with strong oxidizing agents, bases.
[InChI]

InChI=1S/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)
[InChIKey]

QDHFHIQKOVNCNC-UHFFFAOYSA-N
[SMILES]

C(S(O)(=O)=O)CCC
[CAS DataBase Reference]

2386-47-2(CAS DataBase Reference)
[EPA Substance Registry System]

2386-47-2(EPA Substance)
Safety DataBack Directory
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Definition]

ChEBI: An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is butyl.
[Synthesis Reference(s)]

Tetrahedron Letters, 4, p. 1131, 1963 DOI: 10.1039/jr9630005127
Spectrum DetailBack Directory
[Spectrum Detail]

1-Butanesulfonic acid(2386-47-2)1HNMR
1-Butanesulfonic acid(2386-47-2)13CNMR
1-Butanesulfonic acid(2386-47-2)IR1
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