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Heterocyclic building blocks

Benfuresate

Also known as (3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate, 2,3-Dihydro-3,3-dimethyl-5-benzofurylethanesulphonate, 3,3-Dimethyl-2,3-dihydrobenzofuran-5-yl ethanesulfonate

CAS 68505-69-1Formula C12H16O4SMolar mass 256.32 g/molEC 270-925-4
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Benfuresate chemical structure, C12H16O4S, CAS 68505-69-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
68505-69-1
Formula
C12H16O4S
Molar mass
256.32 g/mol
EC number
270-925-4
HS code
293299
Category
Heterocyclic building blocks

What is Benfuresate?

Plain description, key identifiers and synonyms

Benfuresate is a member of benzofurans.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate
CAS number
68505-69-1 CAS number cross-checked
EC number
270-925-4
Molecular formula
C12H16O4S
UNII
5E3V59Y698
MDL number
MFCD01728672
InChIKey
QGQSRQPXXMTJCM-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3
SMILES (canonical and isomeric)
CCS(=O)(=O)OC1=CC2=C(C=C1)OCC2(C)C

Synonyms

  • (3,3-dimethyl-2H-1-benzofuran-5-yl) ethanesulfonate
  • 2,3-Dihydro-3,3-dimethyl-5-benzofurylethanesulphonate
  • 3,3-Dimethyl-2,3-dihydrobenzofuran-5-yl ethanesulfonate
  • Cyperal
  • 5-ethylsulfonyloxy-3,3-dimethyl-2H-benzofuran
  • 3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl ethane-1-sulfonate
  • Ethanesulfonic acid, 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ester
  • NC 20484
  • Benfuresate 100 |Ig/mL in Acetonitrile
  • Benfuresate 100 microg/mL in Acetonitrile
  • Benfuresate, PESTANAL(R), analytical standard
  • (3,3-dimethyl-2H-benzofuran-5-yl) ethanesulfonate
  • 2,3-dihydro-3,3-dimethyl-5-benzofuranyl ethanesulfonate
  • 2,3-dihydro-3,3-dimethylbenzofuran-5-yl ethanesulfonate
  • 2,3-Dihydro-3,3-dimethylbenzofuran-5-yl ethanesulphonate
  • 3,3-Dimethyl-2,3-dihydro-1-benzofuran-5-yl ethanesulfonate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
256.32 g/molcalc.
Exact mass
256.0769 Dacalc.
LogP (octanol/water)
2.09calc.
Topological polar surface area
52.6 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc2c(c1)CCO2

c1ccc2c(c1)CCO2

2 rings, 9 atoms, the Dihydrobenzofuran ring system.

4,354 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Benfuresate suppliers

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Benfuresate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Benfuresate is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Benfuresate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Benfuresate, based on the data on this page

What is Benfuresate?

Benfuresate is a member of benzofurans.

What is the CAS number of Benfuresate?

The CAS registry number of Benfuresate is 68505-69-1.

What is the molecular formula and weight of Benfuresate?

The molecular formula of Benfuresate is C12H16O4S and its molar mass is 256.32 g/mol.

What is Benfuresate used for?

Known uses and roles of Benfuresate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Benfuresate hazardous?

No GHS hazard classification for Benfuresate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Benfuresate?

Benfuresate is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benfuresate?

Post a free request on CompoundList and suppliers of Benfuresate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Benfuresate?

Suppliers quote Benfuresate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Benfuresate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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