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Aliphatic and alicyclic building blocks

1,1-Dinitrocyclododecane

CAS 84065-76-9Formula C12H22N2O4Molar mass 258.32 g/molEC 659-766-5
GHS signal word: Warning. Pictograms: Harmful or irritant
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1,1-Dinitrocyclododecane chemical structure, C12H22N2O4, CAS 84065-76-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
84065-76-9
Formula
C12H22N2O4
Molar mass
258.32 g/mol
EC number
659-766-5
HS code
290420
Category
Aliphatic and alicyclic building blocks

What is 1,1-Dinitrocyclododecane?

Plain description, key identifiers and synonyms

1,1-Dinitrocyclododecane is a chemical substance with the molecular formula C12H22N2O4 and a molar mass of 258.32 g/mol. Its CAS registry number is 84065-76-9.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,1-dinitrocyclododecane
CAS number
84065-76-9
EC number
659-766-5
Molecular formula
C12H22N2O4
InChIKey
GQYUALUIENRERH-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N2O4/c15-13(16)12(14(17)18)10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
SMILES (canonical and isomeric)
C1CCCCCC(CCCCC1)([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
258.32 g/molcalc.
Exact mass
258.158 Dacalc.
LogP (octanol/water)
3.54calc.
Topological polar surface area
86.28 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
2calc.
Heavy atoms
18calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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, C1CCCCCCCCCCC1

C1CCCCCCCCCCC1

1 ring, 12 atoms, the Cyclododecane ring system.

189 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

1,1-Dinitrocyclododecane suppliers

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1,1-Dinitrocyclododecane 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 1,1-Dinitrocyclododecane is traded under.

HS 2904.20Indicative HS code

Derivatives containing only nitro or only nitroso groups

World exports in 2024
$440M
+46.4% vs 2023, imports $463M
2019 to 2024
Top exporters
  1. Germany27.6%
  2. Poland17.1%
  3. Portugal16.0%
Top importers
  1. Belgium34.0%
  2. United States11.0%
  3. Germany9.1%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about 1,1-Dinitrocyclododecane, based on the data on this page

What is 1,1-Dinitrocyclododecane?

1,1-Dinitrocyclododecane is a chemical substance with the molecular formula C12H22N2O4 and a molar mass of 258.32 g/mol. Its CAS registry number is 84065-76-9.

What is the CAS number of 1,1-Dinitrocyclododecane?

The CAS registry number of 1,1-Dinitrocyclododecane is 84065-76-9.

What is the molecular formula and weight of 1,1-Dinitrocyclododecane?

The molecular formula of 1,1-Dinitrocyclododecane is C12H22N2O4 and its molar mass is 258.32 g/mol.

What is 1,1-Dinitrocyclododecane used for?

Known uses and roles of 1,1-Dinitrocyclododecane include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1,1-Dinitrocyclododecane hazardous?

1,1-Dinitrocyclododecane carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1,1-Dinitrocyclododecane?

1,1-Dinitrocyclododecane is usually classified under HS code 290420 (Derivatives containing only nitro or only nitroso groups). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 1,1-Dinitrocyclododecane?

Post a free request on CompoundList and suppliers of 1,1-Dinitrocyclododecane will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 1,1-Dinitrocyclododecane?

Suppliers quote 1,1-Dinitrocyclododecane 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 1,1-Dinitrocyclododecane

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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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