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Heterocyclic building blocks

Oxepin

Also known as Oxacycloheptatriene, oxepine, Oxepins

CAS 291-70-3Formula C6H6OMolar mass 94.11 g/mol
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Oxepin chemical structure, C6H6O, CAS 291-70-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
291-70-3
Formula
C6H6O
Molar mass
94.11 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Oxepin?

Plain description, key identifiers and synonyms

Oxepin is a chemical substance with the molecular formula C6H6O and a molar mass of 94.11 g/mol. Its CAS registry number is 291-70-3. The IUPAC name is oxepine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
oxepine
CAS number
291-70-3 CAS number cross-checked
Molecular formula
C6H6O
UNII
CVP5X85XX5
InChIKey
ATYBXHSAIOKLMG-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H
SMILES (canonical and isomeric)
C1=CC=COC=C1

Synonyms

  • Oxacycloheptatriene
  • oxepine
  • Oxepins
  • Oxepene
  • trans Doxepin

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
94.11 g/molcalc.
Exact mass
94.0419 Dacalc.
LogP (octanol/water)
1.6calc.
Topological polar surface area
9.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
7calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0calc.
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, C1=CC=COC=C1

C1=CC=COC=C1

1 ring, 7 atoms. This chemical is the scaffold itself.

22 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.

Oxepin suppliers

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Oxepin 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 Oxepin 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 Oxepin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Oxepin?

Oxepin is a chemical substance with the molecular formula C6H6O and a molar mass of 94.11 g/mol. Its CAS registry number is 291-70-3. The IUPAC name is oxepine.

What is the CAS number of Oxepin?

The CAS registry number of Oxepin is 291-70-3.

What is the molecular formula and weight of Oxepin?

The molecular formula of Oxepin is C6H6O and its molar mass is 94.11 g/mol.

What is Oxepin used for?

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

Is Oxepin hazardous?

No GHS hazard classification for Oxepin 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 Oxepin?

Oxepin 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 Oxepin?

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

What is the price of Oxepin?

Suppliers quote Oxepin 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 Oxepin

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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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