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Nitriles, nitro and azo compounds

3,4-Epoxycyclohexanecarbonitrile

Also known as 4-Cyanocyclohexene oxide, 7-oxabicyclo[4.1.0]heptane-3-carbonitrile, 3,4-Epoxycyanocyclohexane

CAS 141-40-2Formula C7H9NOMolar mass 123.16 g/mol
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3,4-Epoxycyclohexanecarbonitrile chemical structure, C7H9NO, CAS 141-40-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
141-40-2
Formula
C7H9NO
Molar mass
123.16 g/mol
HS code
292690
Category
Nitriles, nitro and azo compounds

What is 3,4-Epoxycyclohexanecarbonitrile?

Plain description, key identifiers and synonyms

3,4-Epoxycyclohexanecarbonitrile is a chemical substance with the molecular formula C7H9NO and a molar mass of 123.16 g/mol. Its CAS registry number is 141-40-2. The IUPAC name is 7-oxabicyclo[4.1.0]heptane-3-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-oxabicyclo[4.1.0]heptane-3-carbonitrile
CAS number
141-40-2 CAS number cross-checked
Molecular formula
C7H9NO
UNII
T31VB6C780
InChIKey
MBOPNDFEIXMJOS-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO/c8-4-5-1-2-6-7(3-5)9-6/h5-7H,1-3H2
SMILES (canonical and isomeric)
C1CC2C(O2)CC1C#N

Synonyms

  • 4-Cyanocyclohexene oxide
  • 7-oxabicyclo[4.1.0]heptane-3-carbonitrile
  • 3,4-Epoxycyanocyclohexane
  • Cyclohexanecarbonitrile, 3,4-epoxy-
  • 3,4-Epoxycyclohexane-carbonitrile
  • 7-Oxabicyclo(4.1.0)heptane-3-carbonitrile
  • 7-Oxabicyclo(4.1.0)heptane-4-carbonitrile

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
123.16 g/molcalc.
Exact mass
123.0684 Dacalc.
LogP (octanol/water)
1.08calc.
Topological polar surface area
36.32 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
9calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C1CCC2OC2C1

C1CCC2OC2C1

2 rings, 7 atoms, the Cyclohexene oxide ring system.

314 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.

3,4-Epoxycyclohexanecarbonitrile suppliers

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3,4-Epoxycyclohexanecarbonitrile price

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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 3,4-Epoxycyclohexanecarbonitrile is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for 3,4-Epoxycyclohexanecarbonitrile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3,4-Epoxycyclohexanecarbonitrile, based on the data on this page

What is 3,4-Epoxycyclohexanecarbonitrile?

3,4-Epoxycyclohexanecarbonitrile is a chemical substance with the molecular formula C7H9NO and a molar mass of 123.16 g/mol. Its CAS registry number is 141-40-2. The IUPAC name is 7-oxabicyclo[4.1.0]heptane-3-carbonitrile.

What is the CAS number of 3,4-Epoxycyclohexanecarbonitrile?

The CAS registry number of 3,4-Epoxycyclohexanecarbonitrile is 141-40-2.

What is the molecular formula and weight of 3,4-Epoxycyclohexanecarbonitrile?

The molecular formula of 3,4-Epoxycyclohexanecarbonitrile is C7H9NO and its molar mass is 123.16 g/mol.

What is 3,4-Epoxycyclohexanecarbonitrile used for?

Known uses and roles of 3,4-Epoxycyclohexanecarbonitrile include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3,4-Epoxycyclohexanecarbonitrile hazardous?

No GHS hazard classification for 3,4-Epoxycyclohexanecarbonitrile 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 3,4-Epoxycyclohexanecarbonitrile?

3,4-Epoxycyclohexanecarbonitrile is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3,4-Epoxycyclohexanecarbonitrile?

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What is the price of 3,4-Epoxycyclohexanecarbonitrile?

Suppliers quote 3,4-Epoxycyclohexanecarbonitrile 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 3,4-Epoxycyclohexanecarbonitrile

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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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