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Nitriles, nitro and azo compounds

2-Nitrooctane

CAS 4609-91-0Formula C8H17NO2Molar mass 159.23 g/mol
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2-Nitrooctane chemical structure, C8H17NO2, CAS 4609-91-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4609-91-0
Formula
C8H17NO2
Molar mass
159.23 g/mol
HS code
290420
Category
Nitriles, nitro and azo compounds

What is 2-Nitrooctane?

Plain description, key identifiers and synonyms

2-Nitrooctane is a chemical substance with the molecular formula C8H17NO2 and a molar mass of 159.23 g/mol. Its CAS registry number is 4609-91-0.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-nitrooctane
CAS number
4609-91-0 CAS number cross-checked
Molecular formula
C8H17NO2
InChIKey
ZXLQHMOMJDHKJK-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3
SMILES (canonical and isomeric)
CCCCCCC(C)[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
159.23 g/molcalc.
Exact mass
159.1259 Dacalc.
LogP (octanol/water)
2.62calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
11calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

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.

2-Nitrooctane suppliers

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2-Nitrooctane 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 2-Nitrooctane 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 2-Nitrooctane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Nitrooctane, based on the data on this page

What is 2-Nitrooctane?

2-Nitrooctane is a chemical substance with the molecular formula C8H17NO2 and a molar mass of 159.23 g/mol. Its CAS registry number is 4609-91-0.

What is the CAS number of 2-Nitrooctane?

The CAS registry number of 2-Nitrooctane is 4609-91-0.

What is the molecular formula and weight of 2-Nitrooctane?

The molecular formula of 2-Nitrooctane is C8H17NO2 and its molar mass is 159.23 g/mol.

What is 2-Nitrooctane used for?

Known uses and roles of 2-Nitrooctane include building blocks in research and laboratory.

Is 2-Nitrooctane hazardous?

No GHS hazard classification for 2-Nitrooctane 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 2-Nitrooctane?

2-Nitrooctane 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 2-Nitrooctane?

Post a free request on CompoundList and suppliers of 2-Nitrooctane will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Nitrooctane?

Suppliers quote 2-Nitrooctane 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 2-Nitrooctane

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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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