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Esters and lactones

Methyl 4-bromo-3-hydroxycyclohexanecarboxylate

Also known as (1SR,3SR,4RS)-methyl 4-bromo-3-hydroxycyclohexanecarboxylate

CAS 98559-47-8Formula C8H13BrO3Molar mass 237.09 g/mol
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Methyl 4-bromo-3-hydroxycyclohexanecarboxylate chemical structure, C8H13BrO3, CAS 98559-47-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
98559-47-8
Formula
C8H13BrO3
Molar mass
237.09 g/mol
HS code
291819
Category
Esters and lactones

What is Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

Plain description, key identifiers and synonyms

Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is a chemical substance with the molecular formula C8H13BrO3 and a molar mass of 237.09 g/mol. Its CAS registry number is 98559-47-8. The IUPAC name is methyl 4-bromo-3-hydroxycyclohexane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-bromo-3-hydroxycyclohexane-1-carboxylate
CAS number
98559-47-8
Molecular formula
C8H13BrO3
InChIKey
SQOUCOUCDZRJKH-UHFFFAOYSA-N
InChI
InChI=1S/C8H13BrO3/c1-12-8(11)5-2-3-6(9)7(10)4-5/h5-7,10H,2-4H2,1H3
SMILES (canonical and isomeric)
COC(=O)C1CCC(C(C1)O)Br

Synonyms

  • (1SR,3SR,4RS)-methyl 4-bromo-3-hydroxycyclohexanecarboxylate

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
237.09 g/molcalc.
Exact mass
236.0048 Dacalc.
LogP (octanol/water)
1.08calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
3calc.
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, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 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.

Methyl 4-bromo-3-hydroxycyclohexanecarboxylate suppliers

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Methyl 4-bromo-3-hydroxycyclohexanecarboxylate 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 Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Methyl 4-bromo-3-hydroxycyclohexanecarboxylate, based on the data on this page

What is Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is a chemical substance with the molecular formula C8H13BrO3 and a molar mass of 237.09 g/mol. Its CAS registry number is 98559-47-8. The IUPAC name is methyl 4-bromo-3-hydroxycyclohexane-1-carboxylate.

What is the CAS number of Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

The CAS registry number of Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is 98559-47-8.

What is the molecular formula and weight of Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

The molecular formula of Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is C8H13BrO3 and its molar mass is 237.09 g/mol.

What is Methyl 4-bromo-3-hydroxycyclohexanecarboxylate used for?

Known uses and roles of Methyl 4-bromo-3-hydroxycyclohexanecarboxylate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl 4-bromo-3-hydroxycyclohexanecarboxylate hazardous?

No GHS hazard classification for Methyl 4-bromo-3-hydroxycyclohexanecarboxylate 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 Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

Methyl 4-bromo-3-hydroxycyclohexanecarboxylate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

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What is the price of Methyl 4-bromo-3-hydroxycyclohexanecarboxylate?

Suppliers quote Methyl 4-bromo-3-hydroxycyclohexanecarboxylate 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 Methyl 4-bromo-3-hydroxycyclohexanecarboxylate

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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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