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Impurities and reference standards

2-Chlorothioxanthone

Also known as 2-Chlorothioxanthen-9-one, 9H-Thioxanthen-9-one, 2-chloro-, 2-Chloro-9H-thioxanthen-9-one

CAS 86-39-5Formula C13H7ClOSMolar mass 246.72 g/molEC 201-667-2
GHS signal word: Danger. Pictograms: Flammable 10 suppliers listed
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2-Chlorothioxanthone chemical structure, C13H7ClOS, CAS 86-39-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
86-39-5
Formula
C13H7ClOS
Molar mass
246.72 g/mol
Physical form
Solid
HS code
293499
Category
Impurities and reference standards
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is 2-Chlorothioxanthone?

Plain description, key identifiers and synonyms

2-Chlorothioxanthone is a chemical substance with the molecular formula C13H7ClOS and a molar mass of 246.72 g/mol. Its CAS registry number is 86-39-5. The IUPAC name is 2-chlorothioxanthen-9-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-chlorothioxanthen-9-one
CAS number
86-39-5 CAS number cross-checked
EC number
201-667-2
Molecular formula
C13H7ClOS
UNII
RGS87T004B
MDL number
MFCD00005067
InChIKey
ZCDADJXRUCOCJE-UHFFFAOYSA-N
InChI
InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl

Synonyms

  • 2-Chlorothioxanthen-9-one
  • 9H-Thioxanthen-9-one, 2-chloro-
  • 2-Chloro-9H-thioxanthen-9-one
  • 2-Chlorothioxanthen-9-one, 98%
  • 2-Chlorothiaxanthone
  • 2-chloro-9-thioxanthenone
  • 2-chlorothioxanthene-9-one
  • 2-chlorothioxanthon
  • 2-chloro-thioxanthone
  • 2-chloro-9-thioxanthone
  • 2-chloro-thioxanthen-9-one
  • 2-chloranylthioxanthen-9-one
  • Zuclopenthixol impurity B CRS
  • Thioxanthen-9-one, 2-chloro-
  • 2-chlorodibenzo[b,e]thian-10-one
  • 2-chlorodibenzo[b,e]thiin-10-one
  • 2-Chloro-9H-thioxanthen-9-one #
  • Zuclopenthixol Decanoate EP Impurity B
  • Chlorprothixene hydrochloride impurity e
  • Chlorprothixene EP Impurity E, Zuclopenthixol Decanoate EP Impurity B
  • Chlorprothixene EP Impurity E, <br>Zuclopenthixol Decanoate EP Impurity B
  • Zuclopenthixol impurity B, European Pharmacopoeia (EP) Reference Standard

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

Physical form
Solidexp.

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
246.72 g/molcalc.
Exact mass
245.9906 Dacalc.
LogP (octanol/water)
4.07calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
3calc.
Aromatic rings
3calc.
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=c1c2ccccc2sc2ccccc12

O=c1c2ccccc2sc2ccccc12

3 rings, 15 atoms, the Thioxanthone ring system.

254 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable

Hazard statements

  • H228Flammable solid.
Precautionary statements (5)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P370 + P378In case of fire: Use appropriate media to extinguish.

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

2-Chlorothioxanthone suppliers

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All 10 suppliers
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Where suppliers are based

10 suppliers in 2 countries

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2-Chlorothioxanthone 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2-Chlorothioxanthone is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for 2-Chlorothioxanthone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Chlorothioxanthone, based on the data on this page

What is 2-Chlorothioxanthone?

2-Chlorothioxanthone is a chemical substance with the molecular formula C13H7ClOS and a molar mass of 246.72 g/mol. Its CAS registry number is 86-39-5. The IUPAC name is 2-chlorothioxanthen-9-one.

What is the CAS number of 2-Chlorothioxanthone?

The CAS registry number of 2-Chlorothioxanthone is 86-39-5.

What is the molecular formula and weight of 2-Chlorothioxanthone?

The molecular formula of 2-Chlorothioxanthone is C13H7ClOS and its molar mass is 246.72 g/mol.

Is 2-Chlorothioxanthone hazardous?

2-Chlorothioxanthone carries the GHS signal word "Danger". Main hazards: flammable solid. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Chlorothioxanthone?

2-Chlorothioxanthone is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Chlorothioxanthone?

CompoundList lists 10 suppliers of 2-Chlorothioxanthone in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Chlorothioxanthone?

Suppliers quote 2-Chlorothioxanthone 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 2-Chlorothioxanthone

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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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