4-Hydroxy-1-butanesulfonic acid

HCID 96391CAS 26978-64-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=S(=O)(O)CCCCO
InChIKey
YEGPVWSPNYPPIK-UHFFFAOYSA-N
Molecular formula
C4H10O4S
Average molar mass
154.19 g/mol
Monoisotopic mass
154.0299798

Names & identifiers

Preferred name
4-Hydroxy-1-butanesulfonic acid
IUPAC
4-hydroxybutane-1-sulfonic acid
English name
1-Butanesulfonic acid, 4-hydroxy-
Molecular formula
C4H10O4S
Molecular weight
154.18

Names & synonyms

26978-64-34-Hydroxy-1-butanesulfonic acid1-Butanesulfonic acid, 4-hydroxy-NSC 163335UNII-87G94EI36D87G94EI36DNSC 71873NSC-718734-hydroxybutanesulfonic acidDTXSID4067272RefChem:99127DTXCID5037604
Show more names
4-hydroxybutylsulfonic acid4-hydroxybutane-sulfonic acid4-hydroxybutane-1-sulfonicaci4-Hydroxybutane-1-sulfonic acid(contains <15%H2O)4-Hydroxy-1-butanesulfonic Acid DISCONTINUED. Please see H953595
608-029-64-hydroxybutane-1-sulfonic acidMFCD28130072Busulfan Impurity 3NSC71873NSC163335SCHEMBL51852SCHEMBL309722

Database identifiers

CAS
26978-64-3、31465-25-5
PubChem CID
96391
DTXSID
DTXSID4067272
ChEMBL
CHEMBL1205974
UNII
87G94EI36D
EC Number
608-029-6、928-903-3
Nikkaji
J23.366H

Properties

Computed structural properties

XLogP
-0.9
Topological polar surface area
83 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
9

Physicochemical properties

Density
1.393 · 1.393±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
1.74 · 1.74±0.50(Predicted)
Appearance
White to off-white Solid
InChI
InChI=1S/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)
InChIKey
YEGPVWSPNYPPIK-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Hazard information

Regulatory InformationREACH registered substance: 4-hydroxybutane-1-sulfonic acid (EC: 928-903-3)
Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

tsca
TSCA listed
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
REACH Registrations
Active
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Butanesulfonic acid, 4-hydroxy-: INACTIVE

Applications

Uses4-Hydroxy-1-butanesulfonic Acid is used for the enantiomeric separation of a variety of underivatized anionic and cationic compounds of pharmaceutical interest by capillary electrophoresis.

Suppliers50 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]

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