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Nitriles, nitro and azo compounds

1-Nitroheptane

Also known as Heptane, 1-nitro-, nitroheptane, 1-nitro-heptane

CAS 693-39-0Formula C7H15NO2Molar mass 145.20 g/mol
1 supplier listed
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1-Nitroheptane chemical structure, C7H15NO2, CAS 693-39-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
693-39-0
Formula
C7H15NO2
Molar mass
145.20 g/mol
HS code
290420
Category
Nitriles, nitro and azo compounds

What is 1-Nitroheptane?

Plain description, key identifiers and synonyms

1-nitroheptane is a primary nitroalkane that is heptane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a heptane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-nitroheptane
CAS number
693-39-0 CAS number cross-checked
Molecular formula
C7H15NO2
UNII
7QW64S4LUE
MDL number
MFCD00096255
InChIKey
UZONFOPDCXAZND-UHFFFAOYSA-N
InChI
InChI=1S/C7H15NO2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
SMILES (canonical and isomeric)
CCCCCCC[N+](=O)[O-]

Synonyms

  • Heptane, 1-nitro-
  • nitroheptane
  • 1-nitro-heptane
  • nitroheptan

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
145.20 g/molcalc.
Exact mass
145.1103 Dacalc.
LogP (octanol/water)
2.23calc.
Topological polar surface area
43.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
10calc.
Rings
0calc.
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.

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.

1-Nitroheptane suppliers

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Where suppliers are based

1 supplier in 0 countries

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1-Nitroheptane 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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human urinary metabolite
  • mammalian metabolite
  • metabolite

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

Frequently asked questions

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

What is 1-Nitroheptane?

1-nitroheptane is a primary nitroalkane that is heptane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a heptane.

What is the CAS number of 1-Nitroheptane?

The CAS registry number of 1-Nitroheptane is 693-39-0.

What is the molecular formula and weight of 1-Nitroheptane?

The molecular formula of 1-Nitroheptane is C7H15NO2 and its molar mass is 145.20 g/mol.

What is 1-Nitroheptane used for?

Known uses and roles of 1-Nitroheptane include building blocks in research and laboratory, animal metabolite, eukaryotic metabolite, human metabolite, human urinary metabolite and 2 more.

Is 1-Nitroheptane hazardous?

No GHS hazard classification for 1-Nitroheptane 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 1-Nitroheptane?

1-Nitroheptane 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-Nitroheptane?

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

What is the price of 1-Nitroheptane?

Suppliers quote 1-Nitroheptane 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-Nitroheptane

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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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