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Aliphatic and alicyclic building blocks

3-(Dinitromethyl)cyclohexan-1-one

CAS 62115-95-1Formula C7H10N2O5Molar mass 202.17 g/mol
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3-(Dinitromethyl)cyclohexan-1-one chemical structure, C7H10N2O5, CAS 62115-95-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
62115-95-1
Formula
C7H10N2O5
Molar mass
202.17 g/mol
HS code
291479
Category
Aliphatic and alicyclic building blocks

What is 3-(Dinitromethyl)cyclohexan-1-one?

Plain description, key identifiers and synonyms

3-(Dinitromethyl)cyclohexan-1-one is a chemical substance with the molecular formula C7H10N2O5 and a molar mass of 202.17 g/mol. Its CAS registry number is 62115-95-1.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(dinitromethyl)cyclohexan-1-one
CAS number
62115-95-1 CAS number cross-checked
Molecular formula
C7H10N2O5
InChIKey
AHOGZSSTQHTJTI-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2O5/c10-6-3-1-2-5(4-6)7(8(11)12)9(13)14/h5,7H,1-4H2
SMILES (canonical and isomeric)
C1CC(CC(=O)C1)C([N+](=O)[O-])[N+](=O)[O-]

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
202.17 g/molcalc.
Exact mass
202.059 Dacalc.
LogP (octanol/water)
0.63calc.
Topological polar surface area
103.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
1calc.
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, O=C1CCCCC1

O=C1CCCCC1

1 ring, 7 atoms, the Cyclohexanone ring system.

2,698 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-(Dinitromethyl)cyclohexan-1-one suppliers

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3-(Dinitromethyl)cyclohexan-1-one 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 3-(Dinitromethyl)cyclohexan-1-one is traded under.

HS 2914.79Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives, other

World exports in 2024
$558M
−12.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China41.2%
  2. India * partner reported28.7%
  3. Germany16.7%
Top importers
  1. United States29.1%
  2. Italy9.9%
  3. Switzerland * partner reported8.8%

* Partner reported figures, a lower bound.

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

The HS code shown for 3-(Dinitromethyl)cyclohexan-1-one is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-(Dinitromethyl)cyclohexan-1-one, based on the data on this page

What is 3-(Dinitromethyl)cyclohexan-1-one?

3-(Dinitromethyl)cyclohexan-1-one is a chemical substance with the molecular formula C7H10N2O5 and a molar mass of 202.17 g/mol. Its CAS registry number is 62115-95-1.

What is the CAS number of 3-(Dinitromethyl)cyclohexan-1-one?

The CAS registry number of 3-(Dinitromethyl)cyclohexan-1-one is 62115-95-1.

What is the molecular formula and weight of 3-(Dinitromethyl)cyclohexan-1-one?

The molecular formula of 3-(Dinitromethyl)cyclohexan-1-one is C7H10N2O5 and its molar mass is 202.17 g/mol.

What is 3-(Dinitromethyl)cyclohexan-1-one used for?

Known uses and roles of 3-(Dinitromethyl)cyclohexan-1-one include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 3-(Dinitromethyl)cyclohexan-1-one hazardous?

No GHS hazard classification for 3-(Dinitromethyl)cyclohexan-1-one 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-(Dinitromethyl)cyclohexan-1-one?

3-(Dinitromethyl)cyclohexan-1-one is usually classified under HS code 291479 (Halogenated, sulphonated, nitrated or nitrosated derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-(Dinitromethyl)cyclohexan-1-one?

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What is the price of 3-(Dinitromethyl)cyclohexan-1-one?

Suppliers quote 3-(Dinitromethyl)cyclohexan-1-one 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-(Dinitromethyl)cyclohexan-1-one

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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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