Basic information
- CAS
2386-47-2- Standard SMILES
CCCCS(=O)(=O)O- InChIKey
QDHFHIQKOVNCNC-UHFFFAOYSA-N- Molecular formula
- C4H10O3S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.03506535
Overview
Butane-1-sulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is butyl. It is a conjugate acid of a butane-1-sulfonate.
Names & identifiers
- Preferred name
- 1-Butanesulfonic acid
- IUPAC
- butane-1-sulfonic acid
- English name
- 1-Butanesulfonic acid
- Molecular formula
- C4H10O3S
- Molecular weight
- 138.19
Names & synonyms
1-Butanesulfonic acidbutane-1-sulfonic acidbutanesulfonic acid2386-47-2butane sulfonic acid7R6VP78CYDDTXSID3062364CHEBI:61958RefChem:75206DTXCID2036954219-198-7Butane-1-sulphonic acid
Show more names
Einecs 219-198-7BUTANESULPHONICACIDbutane-1-sulfonicaciTirofiban Impurity 46QDHFHIQKOVNCNC-UHFFFAOYSA-N1-Butanesulfonic acid,99%,pract.
n-butanesulphonic acidn-butane sulfonic acidn-butane-1-sulfonic acid1-BUTANESULFONICACID1-Butanesulfonic acid CAS No. 2386-47-25391-97-9NSC3235NSC 3235
Database identifiers
- CAS
2386-47-2、5391-97-9- PubChem CID
- 49935
- DTXSID
DTXSID3062364- ChEBI
CHEBI:61958- UNII
- 7R6VP78CYD
- EC Number
- 219-198-7
- Nikkaji
- J216.024B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfonic Acids, Alkyl
Physical DescriptionColorless liquid with a sulfurous odor; ; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- -15.1 °C · -15.1°C
- Boiling point
- 223.6 °C · 223.6°C (rough estimate)
- Density
- 1.185 · 1.1850
- refractive index
- 1.464 · 1.4640 (estimate)
- form
- liquid
- pka
- 1.92 · 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 · 2386-47-2(CAS DataBase Reference)
- FDA UNII
- 7 R6VP78CYD · 7R6VP78CYD
- EPA Substance Registry System
- 1 · 1-Butanesulfonic acid (2386-47-2)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Acros Organics MSDS]
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanesulfonic acid: INACTIVE
Upstream & downstream products
Downstream products
Suppliers49 total
北京华美互利生物化工010-56205725 · [email protected]
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Additional notes
DefinitionChEBI: An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is butyl.
Related reactions
11 records
Compound notes
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