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Screening compounds

Anthanthrone

Also known as Dibenzo[def,mno]chrysene-6,12-dione, Anthanthron, Anthanthrenequinone

CAS 641-13-4Formula C22H10O2Molar mass 306.32 g/molEC 211-372-0
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Anthanthrone chemical structure, C22H10O2, CAS 641-13-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
641-13-4
Formula
C22H10O2
Molar mass
306.32 g/mol
EC number
211-372-0
HS code
294200
Category
Screening compounds

What is Anthanthrone?

Plain description, key identifiers and synonyms

Anthanthrone is a chemical substance with the molecular formula C22H10O2 and a molar mass of 306.32 g/mol. Its CAS registry number is 641-13-4. The IUPAC name is hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
CAS number
641-13-4 CAS number cross-checked
EC number
211-372-0
Molecular formula
C22H10O2
UNII
T93Y5J867C
InChIKey
PGEHNUUBUQTUJB-UHFFFAOYSA-N
InChI
InChI=1S/C22H10O2/c23-21-13-5-1-3-11-7-9-16-19(17(11)13)20-15(21)10-8-12-4-2-6-14(18(12)20)22(16)24/h1-10H
SMILES (canonical and isomeric)
C1=CC2=C3C(=C1)C(=O)C4=C5C3=C(C=C2)C(=O)C6=CC=CC(=C65)C=C4

Synonyms

  • Dibenzo[def,mno]chrysene-6,12-dione
  • Anthanthron
  • Anthanthrenequinone
  • Helanthrene Orange GK
  • Dibenzo(def,mno)chrysene-6,12-dione
  • Anthranthrone
  • Naphtho[7,8,1,2,3-nopqr]tetraphene-6,12-dione
  • Anthanthrone orange
  • Anthracene-1(4H)-thione
  • Naphtho(7,8,1,2,3-nopqr)tetraphene-6,12-dione
  • hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione
  • Dibenzo[def,12-dione
  • Dibenzochrysene-6,12-dione

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
306.32 g/molcalc.
Exact mass
306.0681 Dacalc.
LogP (octanol/water)
4.44calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
24calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
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=c1c2ccc3cccc4c(=O)c5ccc6cccc1c6c5-c2c34

O=c1c2ccc3cccc4c(=O)c5ccc6cccc1c6c5-c2c34

6 rings, 24 atoms. This chemical is the scaffold itself.

4 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.

Anthanthrone suppliers

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Where suppliers are based

1 supplier in 1 country

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Anthanthrone price

Indicative price range per kg from live supplier offers

No published prices right now

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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 Anthanthrone is traded under.

HS 2942.00Indicative HS code

Organic compounds not elsewhere classified in chapter 29

World exports in 2024
$589M
−43.5% vs 2023, imports $614M
2019 to 2024
Top exporters
  1. India * partner reported20.7%
  2. United States18.6%
  3. Italy10.4%
Top importers
  1. United States15.1%
  2. Italy6.7%
  3. Japan5.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Anthanthrone is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Anthanthrone, based on the data on this page

What is Anthanthrone?

Anthanthrone is a chemical substance with the molecular formula C22H10O2 and a molar mass of 306.32 g/mol. Its CAS registry number is 641-13-4. The IUPAC name is hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene-12,22-dione.

What is the CAS number of Anthanthrone?

The CAS registry number of Anthanthrone is 641-13-4.

What is the molecular formula and weight of Anthanthrone?

The molecular formula of Anthanthrone is C22H10O2 and its molar mass is 306.32 g/mol.

What is Anthanthrone used for?

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

Is Anthanthrone hazardous?

No GHS hazard classification for Anthanthrone 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 Anthanthrone?

Anthanthrone is usually classified under HS code 294200 (XIII. OTHER ORGANIC COMPOUNDS, other organic compounds). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anthanthrone?

CompoundList lists 1 supplier of Anthanthrone in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Anthanthrone?

Suppliers quote Anthanthrone 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 Anthanthrone

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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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