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Aromatic building blocks

1-(4-Chlorophenyl)cyclohexanecarbonitrile

Also known as 1-(4-chlorophenyl)cyclohexane-1-carbonitrile, 1-(4-Chlorophenyl)-1-cyclohexanecarbonitrile, 99, 1-(4-chlorophenyl)-1-cyclohexanecarbonitrile

CAS 64399-28-6Formula C13H14ClNMolar mass 219.72 g/molEC 264-872-6
GHS signal word: Warning. Pictograms: Harmful or irritant 1 supplier listed
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1-(4-Chlorophenyl)cyclohexanecarbonitrile chemical structure, C13H14ClN, CAS 64399-28-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
64399-28-6
Formula
C13H14ClN
Molar mass
219.72 g/mol
EC number
264-872-6
HS code
292690
Category
Aromatic building blocks

What is 1-(4-Chlorophenyl)cyclohexanecarbonitrile?

Plain description, key identifiers and synonyms

1-(4-Chlorophenyl)cyclohexanecarbonitrile is a chemical substance with the molecular formula C13H14ClN and a molar mass of 219.72 g/mol. Its CAS registry number is 64399-28-6. The IUPAC name is 1-(4-chlorophenyl)cyclohexane-1-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(4-chlorophenyl)cyclohexane-1-carbonitrile
CAS number
64399-28-6 CAS number cross-checked
EC number
264-872-6
Molecular formula
C13H14ClN
MDL number
MFCD00065289
InChIKey
OSHOYPXOCQTDGJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H14ClN/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7H,1-3,8-9H2
SMILES (canonical and isomeric)
C1CCC(CC1)(C#N)C2=CC=C(C=C2)Cl

Synonyms

  • 1-(4-chlorophenyl)cyclohexane-1-carbonitrile
  • 1-(4-Chlorophenyl)-1-cyclohexanecarbonitrile, 99
  • 1-(4-chlorophenyl)-1-cyclohexanecarbonitrile
  • Cyclohexanecarbonitrile, 1-(4-chlorophenyl)-
  • 1-(4-Chlorophenyl)cyclohexanecarbonitrile #
  • 1-(4-chlorophenyl)-1-cyclohexane-carbonitrile

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
219.72 g/molcalc.
Exact mass
219.0815 Dacalc.
LogP (octanol/water)
4.07calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
15calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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, c1ccc(C2CCCCC2)cc1

c1ccc(C2CCCCC2)cc1

2 rings, 12 atoms, the Cyclohexylbenzene ring system.

4,255 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H319Causes serious eye irritation.
Precautionary statements (4)
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P337 + P317If eye irritation persists: Get medical help.

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

1-(4-Chlorophenyl)cyclohexanecarbonitrile suppliers

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Where suppliers are based

1 supplier in 1 country

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1-(4-Chlorophenyl)cyclohexanecarbonitrile 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 1-(4-Chlorophenyl)cyclohexanecarbonitrile 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 1-(4-Chlorophenyl)cyclohexanecarbonitrile is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 1-(4-Chlorophenyl)cyclohexanecarbonitrile, based on the data on this page

What is 1-(4-Chlorophenyl)cyclohexanecarbonitrile?

1-(4-Chlorophenyl)cyclohexanecarbonitrile is a chemical substance with the molecular formula C13H14ClN and a molar mass of 219.72 g/mol. Its CAS registry number is 64399-28-6. The IUPAC name is 1-(4-chlorophenyl)cyclohexane-1-carbonitrile.

What is the CAS number of 1-(4-Chlorophenyl)cyclohexanecarbonitrile?

The CAS registry number of 1-(4-Chlorophenyl)cyclohexanecarbonitrile is 64399-28-6.

What is the molecular formula and weight of 1-(4-Chlorophenyl)cyclohexanecarbonitrile?

The molecular formula of 1-(4-Chlorophenyl)cyclohexanecarbonitrile is C13H14ClN and its molar mass is 219.72 g/mol.

What is 1-(4-Chlorophenyl)cyclohexanecarbonitrile used for?

Known uses and roles of 1-(4-Chlorophenyl)cyclohexanecarbonitrile include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1-(4-Chlorophenyl)cyclohexanecarbonitrile hazardous?

1-(4-Chlorophenyl)cyclohexanecarbonitrile carries the GHS signal word "Warning". Main hazards: causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-(4-Chlorophenyl)cyclohexanecarbonitrile?

1-(4-Chlorophenyl)cyclohexanecarbonitrile 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 1-(4-Chlorophenyl)cyclohexanecarbonitrile?

CompoundList lists 1 supplier of 1-(4-Chlorophenyl)cyclohexanecarbonitrile in United States. 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-(4-Chlorophenyl)cyclohexanecarbonitrile?

Suppliers quote 1-(4-Chlorophenyl)cyclohexanecarbonitrile 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-(4-Chlorophenyl)cyclohexanecarbonitrile

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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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