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Aromatic building blocks

1-Phenylcyclohexanecarbonitrile

Also known as 1-phenylcyclohexane-1-carbonitrile, Cyclohexanecarbonitrile, 1-phenyl-, 1-Phenyl-1-cyclohexanecarbonitrile

CAS 2201-23-2Formula C13H15NMolar mass 185.27 g/molEC 218-608-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 2 suppliers listed
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1-Phenylcyclohexanecarbonitrile chemical structure, C13H15N, CAS 2201-23-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2201-23-2
Formula
C13H15N
Molar mass
185.27 g/mol
EC number
218-608-1
HS code
292690
Category
Aromatic building blocks

What is 1-Phenylcyclohexanecarbonitrile?

Plain description, key identifiers and synonyms

1-Phenylcyclohexanecarbonitrile is a chemical substance with the molecular formula C13H15N and a molar mass of 185.27 g/mol. Its CAS registry number is 2201-23-2. The IUPAC name is 1-phenylcyclohexane-1-carbonitrile.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-phenylcyclohexane-1-carbonitrile
CAS number
2201-23-2 CAS number cross-checked
EC number
218-608-1
Molecular formula
C13H15N
UNII
A7PJG8E4XS
MDL number
MFCD00021281
InChIKey
AUXIEQKHXAYAHG-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-10H2
SMILES (canonical and isomeric)
C1CCC(CC1)(C#N)C2=CC=CC=C2

Synonyms

  • 1-phenylcyclohexane-1-carbonitrile
  • Cyclohexanecarbonitrile, 1-phenyl-
  • 1-Phenyl-1-cyclohexanecarbonitrile
  • 1-phenyl-cyclohexanecarbonitrile
  • cyanophenylcyclohe
  • cyanophenylcyclohexane
  • 1-Phenylcyclohexane carbonitrile
  • 1-phenyl-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
185.27 g/molcalc.
Exact mass
185.1204 Dacalc.
LogP (octanol/water)
3.41calc.
Topological polar surface area
23.79 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
14calc.
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
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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-Phenylcyclohexanecarbonitrile suppliers

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All 2 suppliers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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

Frequently asked questions

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

What is 1-Phenylcyclohexanecarbonitrile?

1-Phenylcyclohexanecarbonitrile is a chemical substance with the molecular formula C13H15N and a molar mass of 185.27 g/mol. Its CAS registry number is 2201-23-2. The IUPAC name is 1-phenylcyclohexane-1-carbonitrile.

What is the CAS number of 1-Phenylcyclohexanecarbonitrile?

The CAS registry number of 1-Phenylcyclohexanecarbonitrile is 2201-23-2.

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

The molecular formula of 1-Phenylcyclohexanecarbonitrile is C13H15N and its molar mass is 185.27 g/mol.

What is 1-Phenylcyclohexanecarbonitrile used for?

Known uses and roles of 1-Phenylcyclohexanecarbonitrile include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 1-Phenylcyclohexanecarbonitrile hazardous?

1-Phenylcyclohexanecarbonitrile carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 1-Phenylcyclohexanecarbonitrile?

1-Phenylcyclohexanecarbonitrile 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-Phenylcyclohexanecarbonitrile?

CompoundList lists 2 suppliers of 1-Phenylcyclohexanecarbonitrile in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 1-Phenylcyclohexanecarbonitrile in India?

1 supplier in India list 1-Phenylcyclohexanecarbonitrile on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 1-Phenylcyclohexanecarbonitrile?

Suppliers quote 1-Phenylcyclohexanecarbonitrile 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-Phenylcyclohexanecarbonitrile

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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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