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Nitriles, nitro and azo compounds

3-Methylhexanenitrile

Also known as Hexanenitrile, 3-methyl-, l-3-Methylhexanenitrile, 3-Methylhexanenitrile #

CAS 53783-89-4Formula C7H13NMolar mass 111.19 g/mol
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3-Methylhexanenitrile chemical structure, C7H13N, CAS 53783-89-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
53783-89-4
Formula
C7H13N
Molar mass
111.19 g/mol
HS code
292690
Category
Nitriles, nitro and azo compounds

What is 3-Methylhexanenitrile?

Plain description, key identifiers and synonyms

3-Methylhexanenitrile is a chemical substance with the molecular formula C7H13N and a molar mass of 111.19 g/mol. Its CAS registry number is 53783-89-4.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-methylhexanenitrile
CAS number
53783-89-4 CAS number cross-checked
Molecular formula
C7H13N
InChIKey
JDVUMGUHKLDEQL-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N/c1-3-4-7(2)5-6-8/h7H,3-5H2,1-2H3
SMILES (canonical and isomeric)
CCCC(C)CC#N

Synonyms

  • Hexanenitrile, 3-methyl-
  • l-3-Methylhexanenitrile
  • 3-Methylhexanenitrile #

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
111.19 g/molcalc.
Exact mass
111.1048 Dacalc.
LogP (octanol/water)
2.34calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
8calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.86calc.
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.

3-Methylhexanenitrile suppliers

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3-Methylhexanenitrile 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 3-Methylhexanenitrile is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 3-Methylhexanenitrile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 3-Methylhexanenitrile, based on the data on this page

What is 3-Methylhexanenitrile?

3-Methylhexanenitrile is a chemical substance with the molecular formula C7H13N and a molar mass of 111.19 g/mol. Its CAS registry number is 53783-89-4.

What is the CAS number of 3-Methylhexanenitrile?

The CAS registry number of 3-Methylhexanenitrile is 53783-89-4.

What is the molecular formula and weight of 3-Methylhexanenitrile?

The molecular formula of 3-Methylhexanenitrile is C7H13N and its molar mass is 111.19 g/mol.

What is 3-Methylhexanenitrile used for?

Known uses and roles of 3-Methylhexanenitrile include building blocks in research and laboratory.

Is 3-Methylhexanenitrile hazardous?

No GHS hazard classification for 3-Methylhexanenitrile 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 3-Methylhexanenitrile?

3-Methylhexanenitrile is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 3-Methylhexanenitrile?

Post a free request on CompoundList and suppliers of 3-Methylhexanenitrile will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 3-Methylhexanenitrile?

Suppliers quote 3-Methylhexanenitrile 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 3-Methylhexanenitrile

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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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