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Phenindione chemical structure, C15H10O2, CAS 83-12-5
2D chemical structure

Key facts

What buyers check first

Appearance
Leaflets from alcohol
Melting point
149 to 151
Solubility
PRACTICALLY INSOL IN COLD WATER, SOL IN CHLOROFORM, SLIGHTLY SOL IN WARM WATER, READILY…
HS code
291439
Category
Aromatic building blocks
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Phenindione?

Plain description, key identifiers and synonyms

Phenindione is a beta-diketone and an aromatic ketone. It has a role as an anticoagulant. It derives from a hydride of an indane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-phenylindene-1,3-dione
CAS number
83-12-5 CAS number cross-checked
EC number
201-454-4
Molecular formula
C15H10O2
UNII
5M7Y6274ZE
MDL number
MFCD00003782
InChIKey
NFBAXHOPROOJAW-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O

Synonyms

  • 2-Phenyl-1,3-indandione
  • 2-Phenyl-1H-indene-1,3(2H)-dione
  • Rectadione
  • Danilone
  • Dindevan
  • Hedulin
  • Diophindane
  • Athrombon
  • Fenhydren
  • Indon
  • Phenylindanedione
  • Phenylindione
  • Danedion
  • Diadilan
  • Emandione
  • Phenhydren
  • Phenillin
  • Theradione
  • Bindan
  • Dineval
  • Indema
  • Fenindion
  • Hemolidione
  • Thrombasal
  • Danilon
Show all 39 synonyms
  • Emandion
  • Phenylen
  • Phenylin
  • Tromazal
  • Trombol
  • Cronodione
  • Fenindiona
  • 2-Phenylindandione
  • 2-Phenyl-1,3-diketohydrindene
  • Phenindionum
  • 1H-Indene-1,3(2H)-dione, 2-phenyl-
  • 2-phenyl-2,3-dihydro-1H-indene-1,3-dione
  • 1,3-Indandione, 2-phenyl-
  • 2-phenyl-1,3(2H)-Indenedione

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

Appearance
Leaflets from alcoholexp.
Odour
ALMOST ODORLESSexp.
Melting point
149 to 151exp.
Solubility
PRACTICALLY INSOL IN COLD WATER, SOL IN CHLOROFORM, SLIGHTLY SOL IN WARM WATER, READILY SOL IN ALKALINE SOLN, SOL IN METHANOL, ETHANOL, ETHER, ACETONE, BENZENEexp.

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
222.24 g/molcalc.
Exact mass
222.0681 Dacalc.
LogP (octanol/water)
2.85calc.
Topological polar surface area
34.14 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.07calc.
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=C1c2ccccc2C(=O)C1c1ccccc1

O=C1c2ccccc2C(=O)C1c1ccccc1

3 rings, 17 atoms. This chemical is the scaffold itself.

226 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H317May cause an allergic skin reaction.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Phenindione suppliers

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All 63 suppliers
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Where suppliers are based

63 suppliers in 13 countries

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Phenindione price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Pharmacological actions

  • Anticoagulants

Roles

  • anticoagulant
  • hematologic agent
  • pharmaceutical

How it is made

By heating phthalide with benzaldehyde and sodium ethylate solution: dieckmann, ber 47, 1439 (1914).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: 2-Phenylindan-1,3-dione (Phenindione (INN)), Ref no: 271, Annex ref: II/271

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Phenindione is traded under.

HS 2914.39Indicative HS code

Aromatic ketones without other oxygen function, other

World exports in 2024
$207M
−12.1% vs 2023, imports $191M
2019 to 2024
Top exporters
  1. China61.4%
  2. India * partner reported12.4%
  3. Italy7.6%
Top importers
  1. India * partner reported11.9%
  2. Germany9.9%
  3. United States8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phenindione?

Phenindione is a beta-diketone and an aromatic ketone. It has a role as an anticoagulant. It derives from a hydride of an indane.

What is the CAS number of Phenindione?

The CAS registry number of Phenindione is 83-12-5.

What is the molecular formula and weight of Phenindione?

The molecular formula of Phenindione is C15H10O2 and its molar mass is 222.24 g/mol.

What is Phenindione used for?

Use classes: Pharmaceuticals.

Is Phenindione hazardous?

Phenindione carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause an allergic skin reaction. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phenindione?

Phenindione is usually classified under HS code 291439 (Aromatic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phenindione?

CompoundList lists 63 suppliers of Phenindione in United States, China, United Kingdom, Germany and 9 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Phenindione?

Suppliers quote Phenindione 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 Phenindione

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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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