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Screening compounds

Anthranol benzoate

Also known as 9-Anthrol, benzoate, 9-Benzoyloxyanthracene, 9-Anthracenol, 9-benzoate

CAS 5953-93-5Formula C21H14O2Molar mass 298.34 g/mol
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Anthranol benzoate chemical structure, C21H14O2, CAS 5953-93-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5953-93-5
Formula
C21H14O2
Molar mass
298.34 g/mol
HS code
291631
Category
Screening compounds

What is Anthranol benzoate?

Plain description, key identifiers and synonyms

Anthranol benzoate is a chemical substance with the molecular formula C21H14O2 and a molar mass of 298.34 g/mol. Its CAS registry number is 5953-93-5. The IUPAC name is anthracen-9-yl benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
anthracen-9-yl benzoate
CAS number
5953-93-5 CAS number cross-checked
Molecular formula
C21H14O2
UNII
FTW5O687UC
InChIKey
SXOKHCNIVMOGBC-UHFFFAOYSA-N
InChI
InChI=1S/C21H14O2/c22-21(15-8-2-1-3-9-15)23-20-18-12-6-4-10-16(18)14-17-11-5-7-13-19(17)20/h1-14H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C(=O)OC2=C3C=CC=CC3=CC4=CC=CC=C42

Synonyms

  • 9-Anthrol, benzoate
  • 9-Benzoyloxyanthracene
  • 9-Anthracenol, 9-benzoate
  • anthracen-9-yl benzoate

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
298.34 g/molcalc.
Exact mass
298.0994 Dacalc.
LogP (octanol/water)
5.21calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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(Oc1c2ccccc2cc2ccccc12)c1ccccc1

O=C(Oc1c2ccccc2cc2ccccc12)c1ccccc1

4 rings, 23 atoms. This chemical is the scaffold itself.

No other chemical in our database has 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.

Anthranol benzoate suppliers

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Anthranol benzoate 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 Anthranol benzoate is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Anthranol benzoate, based on the data on this page

What is Anthranol benzoate?

Anthranol benzoate is a chemical substance with the molecular formula C21H14O2 and a molar mass of 298.34 g/mol. Its CAS registry number is 5953-93-5. The IUPAC name is anthracen-9-yl benzoate.

What is the CAS number of Anthranol benzoate?

The CAS registry number of Anthranol benzoate is 5953-93-5.

What is the molecular formula and weight of Anthranol benzoate?

The molecular formula of Anthranol benzoate is C21H14O2 and its molar mass is 298.34 g/mol.

What is Anthranol benzoate used for?

Known uses and roles of Anthranol benzoate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anthranol benzoate hazardous?

No GHS hazard classification for Anthranol benzoate 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 Anthranol benzoate?

Anthranol benzoate is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anthranol benzoate?

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

What is the price of Anthranol benzoate?

Suppliers quote Anthranol benzoate 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 Anthranol benzoate

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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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