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Nitriles, nitro and azo compounds

5-Methyl-5-nitro-2-hexanone

Also known as 5-Methyl-5-nitrohexan-2-one, 2-Hexanone, 5-methyl-5-nitro-, 5-Methyl-5-nitro-2-hexanone #

CAS 4604-49-3Formula C7H13NO3Molar mass 159.19 g/molEC 225-006-2
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5-Methyl-5-nitro-2-hexanone chemical structure, C7H13NO3, CAS 4604-49-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4604-49-3
Formula
C7H13NO3
Molar mass
159.19 g/mol
EC number
225-006-2
HS code
291479
Category
Nitriles, nitro and azo compounds

What is 5-Methyl-5-nitro-2-hexanone?

Plain description, key identifiers and synonyms

5-Methyl-5-nitro-2-hexanone is a chemical substance with the molecular formula C7H13NO3 and a molar mass of 159.19 g/mol. Its CAS registry number is 4604-49-3. The IUPAC name is 5-methyl-5-nitrohexan-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-methyl-5-nitrohexan-2-one
CAS number
4604-49-3 CAS number cross-checked
EC number
225-006-2
Molecular formula
C7H13NO3
UNII
XJK9DW9TSC
InChIKey
QWHNMIXUSPUHGO-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO3/c1-6(9)4-5-7(2,3)8(10)11/h4-5H2,1-3H3
SMILES (canonical and isomeric)
CC(=O)CCC(C)(C)[N+](=O)[O-]

Synonyms

  • 5-Methyl-5-nitrohexan-2-one
  • 2-Hexanone, 5-methyl-5-nitro-
  • 5-Methyl-5-nitro-2-hexanone #

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
159.19 g/molcalc.
Exact mass
159.0895 Dacalc.
LogP (octanol/water)
1.41calc.
Topological polar surface area
60.21 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
11calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
Formal charge
0calc.
Stereocentres
0calc.
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.

5-Methyl-5-nitro-2-hexanone suppliers

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5-Methyl-5-nitro-2-hexanone 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 5-Methyl-5-nitro-2-hexanone 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 5-Methyl-5-nitro-2-hexanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5-Methyl-5-nitro-2-hexanone, based on the data on this page

What is 5-Methyl-5-nitro-2-hexanone?

5-Methyl-5-nitro-2-hexanone is a chemical substance with the molecular formula C7H13NO3 and a molar mass of 159.19 g/mol. Its CAS registry number is 4604-49-3. The IUPAC name is 5-methyl-5-nitrohexan-2-one.

What is the CAS number of 5-Methyl-5-nitro-2-hexanone?

The CAS registry number of 5-Methyl-5-nitro-2-hexanone is 4604-49-3.

What is the molecular formula and weight of 5-Methyl-5-nitro-2-hexanone?

The molecular formula of 5-Methyl-5-nitro-2-hexanone is C7H13NO3 and its molar mass is 159.19 g/mol.

What is 5-Methyl-5-nitro-2-hexanone used for?

Known uses and roles of 5-Methyl-5-nitro-2-hexanone include building blocks in research and laboratory.

Is 5-Methyl-5-nitro-2-hexanone hazardous?

No GHS hazard classification for 5-Methyl-5-nitro-2-hexanone 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 5-Methyl-5-nitro-2-hexanone?

5-Methyl-5-nitro-2-hexanone 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 5-Methyl-5-nitro-2-hexanone?

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What is the price of 5-Methyl-5-nitro-2-hexanone?

Suppliers quote 5-Methyl-5-nitro-2-hexanone 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 5-Methyl-5-nitro-2-hexanone

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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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