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Aromatic building blocks

Cyclohexanecarboxylic acid, 3-chlorophenyl ester

Also known as 3-Chlorophenyl cyclohexanecarboxylate

CAS 101068-40-0Formula C13H15ClO2Molar mass 238.71 g/mol
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Cyclohexanecarboxylic acid, 3-chlorophenyl ester chemical structure, C13H15ClO2, CAS 101068-40-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101068-40-0
Formula
C13H15ClO2
Molar mass
238.71 g/mol
HS code
291620
Category
Aromatic building blocks

What is Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

Plain description, key identifiers and synonyms

Cyclohexanecarboxylic acid, 3-chlorophenyl ester is a chemical substance with the molecular formula C13H15ClO2 and a molar mass of 238.71 g/mol. Its CAS registry number is 101068-40-0. The IUPAC name is (3-chlorophenyl) cyclohexanecarboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3-chlorophenyl) cyclohexanecarboxylate
CAS number
101068-40-0 CAS number cross-checked
Molecular formula
C13H15ClO2
InChIKey
MIYBJBJEGAWJEH-UHFFFAOYSA-N
InChI
InChI=1S/C13H15ClO2/c14-11-7-4-8-12(9-11)16-13(15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2
SMILES (canonical and isomeric)
C1CCC(CC1)C(=O)OC2=CC(=CC=C2)Cl

Synonyms

  • 3-Chlorophenyl cyclohexanecarboxylate

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
238.71 g/molcalc.
Exact mass
238.0761 Dacalc.
LogP (octanol/water)
3.83calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
16calc.
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, O=C(Oc1ccccc1)C1CCCCC1

O=C(Oc1ccccc1)C1CCCCC1

2 rings, 15 atoms, the Phenyl cyclohexanecarboxylate ring system.

138 other chemicals share this scaffold

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.

Cyclohexanecarboxylic acid, 3-chlorophenyl ester suppliers

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Cyclohexanecarboxylic acid, 3-chlorophenyl ester 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 Cyclohexanecarboxylic acid, 3-chlorophenyl ester is traded under.

HS 2916.20Indicative HS code

Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…

World exports in 2024
$489M
−6.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China45.5%
  2. India * partner reported18.6%
  3. Japan11.2%
Top importers
  1. Brazil20.3%
  2. United States15.7%
  3. India * partner reported12.8%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Cyclohexanecarboxylic acid, 3-chlorophenyl ester, based on the data on this page

What is Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

Cyclohexanecarboxylic acid, 3-chlorophenyl ester is a chemical substance with the molecular formula C13H15ClO2 and a molar mass of 238.71 g/mol. Its CAS registry number is 101068-40-0. The IUPAC name is (3-chlorophenyl) cyclohexanecarboxylate.

What is the CAS number of Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

The CAS registry number of Cyclohexanecarboxylic acid, 3-chlorophenyl ester is 101068-40-0.

What is the molecular formula and weight of Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

The molecular formula of Cyclohexanecarboxylic acid, 3-chlorophenyl ester is C13H15ClO2 and its molar mass is 238.71 g/mol.

What is Cyclohexanecarboxylic acid, 3-chlorophenyl ester used for?

Known uses and roles of Cyclohexanecarboxylic acid, 3-chlorophenyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Cyclohexanecarboxylic acid, 3-chlorophenyl ester hazardous?

No GHS hazard classification for Cyclohexanecarboxylic acid, 3-chlorophenyl ester 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 Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

Cyclohexanecarboxylic acid, 3-chlorophenyl ester is usually classified under HS code 291620 (Cyclanic, cyclenic or cycloterpenic monocarboxylic acids, their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

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What is the price of Cyclohexanecarboxylic acid, 3-chlorophenyl ester?

Suppliers quote Cyclohexanecarboxylic acid, 3-chlorophenyl ester 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

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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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