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Nitriles, nitro and azo compounds

Nitrocyclohexane

Also known as Cyclohexane, nitro-, 1-nitrocyclohexane, 4-05-00-00081 (Beilstein Handbook Reference)

CAS 1122-60-7Formula C6H11NO2Molar mass 129.16 g/molEC 214-354-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 1 supplier listed
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Nitrocyclohexane chemical structure, C6H11NO2, CAS 1122-60-7
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Melting point
-34 °C
Boiling point
205.5 °C
Density
1.0610 at 20 °C/4 °C
Solubility
Sol in alcohol, ligroin
HS code
290420
Category
Nitriles, nitro and azo compounds
UN number
UN 3382
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Nitrocyclohexane?

Plain description, key identifiers and synonyms

Nitrocyclohexane is a C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group. It is a carbocyclic compound and a nitrohydrocarbon.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
nitrocyclohexane
CAS number
1122-60-7 CAS number cross-checked
EC number
214-354-0
Molecular formula
C6H11NO2
UNII
LL1X024M73
MDL number
MFCD00003843
InChIKey
NJNQUTDUIPVROZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
SMILES (canonical and isomeric)
C1CCC(CC1)[N+](=O)[O-]

Synonyms

  • Cyclohexane, nitro-
  • 1-nitrocyclohexane
  • 4-05-00-00081 (Beilstein Handbook Reference)
  • Cyclohexane, nitro
  • nitro-cyclohexane
  • Hexahydronitrobenzene
  • 1-nitrocyclohexan
  • Nitrocyclohexane, 97%

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

Physical form
Liquidexp.
Melting point
-34 °Cexp.
Boiling point
205.5 °Cexp.
Density
1.0610 at 20 °C/4 °Cexp.
Solubility
Sol in alcohol, ligroinexp.
Vapour pressure
0.35 [mm Hg] @25 °Cexp.

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
129.16 g/molcalc.
Exact mass
129.079 Dacalc.
LogP (octanol/water)
1.6calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
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, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H311Toxic in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H331Toxic if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (22)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 3382

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

Nitrocyclohexane suppliers

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Where suppliers are based

1 supplier in 1 country

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Nitrocyclohexane 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

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nitrocyclohexane 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 Nitrocyclohexane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Nitrocyclohexane?

Nitrocyclohexane is a C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group. It is a carbocyclic compound and a nitrohydrocarbon.

What is the CAS number of Nitrocyclohexane?

The CAS registry number of Nitrocyclohexane is 1122-60-7.

What is the molecular formula and weight of Nitrocyclohexane?

The molecular formula of Nitrocyclohexane is C6H11NO2 and its molar mass is 129.16 g/mol.

What is Nitrocyclohexane used for?

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

Is Nitrocyclohexane hazardous?

Nitrocyclohexane carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Nitrocyclohexane?

Nitrocyclohexane 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 Nitrocyclohexane?

CompoundList lists 1 supplier of Nitrocyclohexane in Japan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Nitrocyclohexane?

Suppliers quote Nitrocyclohexane 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 Nitrocyclohexane

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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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