Diphacinone
Also known as Diphenadione, Didandin, Diphenacin
Key facts
What buyers check first
- Appearance
- Yellow crystals
- Melting point
- 141 to 145
- Density
- Bulk density: 1.87 g/mL
- Solubility
- In water, 0.3 mg/L, temp not specified
- HS code
- 291439
- Category
- Screening compounds
- UN number
- UN 2811
What is Diphacinone?
Plain description, key identifiers and synonyms
Diphenadione is a beta-triketone and a diarylmethane.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(2,2-diphenylacetyl)indene-1,3-dione
- CAS number
- 82-66-6 CAS number cross-checked
- EC number
- 201-434-5
- Molecular formula
- C23H16O3
- UNII
- 54CA01C6JX
- MDL number
- MFCD00046317
- InChIKey
- JYGLAHSAISAEAL-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H
- SMILES (canonical and isomeric)
- C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C3C(=O)C4=CC=CC=C4C3=O
Synonyms
- Diphenadione
- Didandin
- Diphenacin
- Diphenandione
- Promar
- Diphacin
- Diphenadion
- Oragulant
- Ratindan
- Didion
- Dipaxin
- Solvan
- Ramik
- Diphac
- 2-(Diphenylacetyl)-1H-indene-1,3(2H)-dione
- Ratindan 1
- Difenadione
- 2-(Diphenylacetyl)-1,3-indandione
- Difenadiona
- Diphacins
- Parakakes
- Kill-Ko Rat Killer
- Rodent Cake
- Gold Crest
- Contrax-D
Show all 38 synonymsShow fewer synonyms
- Promar PCQ
- Diphenadionum
- URI 788
- 1,3-Indandione, 2-diphenylacetyl-
- 2-Diphenylacetyl-1,3-diketohydrindene
- 1,3-Indandione, 2-(diphenylacetyl)-
- 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-
- 2-(Diphenylacetyl)indan-1,3-dione
- Diphenylacetylindandione
- difenadion
- diphacine
- 2-(2,2-diphenylacetyl)-2,3-dihydro-1H-indene-1,3-dione
- 2-(2,2-diphenylacetyl)indene-1,3-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
| Appearance | Yellow crystalsexp.Measured value |
|---|---|
| Odour | Odorlessexp.Measured value |
| Melting point | 141 to 145exp.Measured value |
| Density | Bulk density: 1.87 g/mLexp.Measured value |
| Solubility | In water, 0.3 mg/L, temp not specifiedexp.Measured value |
| Vapour pressure | VP: 1.2 × 10⁻⁸ mm Hgexp.Measured value |
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 | 340.38 g/molcalc.Computed value |
|---|---|
| Exact mass | 340.1099 Dacalc.Computed value |
| LogP (octanol/water) | 4.08calc.Computed value |
| Topological polar surface area | 51.21 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.09calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccccc1
4 rings, 26 atoms. This chemical is the scaffold itself.
12 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H300Fatal if swallowed.
- H372Causes damage to organs through prolonged or repeated exposure.
Precautionary statements (9)
- P260Do not breathe dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 2811
- Transport hazard class
- 6.1
- Packing group
- I
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 aidDiphacinone suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Diphacinone is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Diphacinone
Reference: Highly hazardous pesticide, WHO class Ia or Ib
Our policy on controlled substancesLicensed buyers can post a request for Diphacinone with their licence. Our compliance team reviews it before suppliers see it.
Diphacinone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Control of mammal pest, particularly commensal rats and mice but also a variety of field rodents (note: commensal rodents are Norway rat, roof rat, and house mouse).
Control of ... prairie dogs (Cynomys spp.), ground squirrels, and other rodents.
Baticide.
Use classes: Pharmaceuticals.
Industries and functions
Roles
- anticoagulant
- hematologic agent
- pharmaceutical
Functional uses
- Biocide
How it is made
Preparation: D.G. Thomas, United States of America patent 2672483 (1954 to Upjohn).
By the condensation of dimethyl phthalate with diphenylacetone in an inert solvent in the presence of sodium methoxide.
Regulatory status
Inventories, regulations and trade controls that list this substance
Diphacinone is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Diphacinone
Reference: Highly hazardous pesticide, WHO class Ia or Ib
Our policy on controlled substancesEurope
- EU harmonised classification (CLP Annex VI)Index no: 606-038-00-X
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Diphacinone is traded under.
Aromatic ketones without other oxygen function, other
- India * partner reported11.9%
- Germany9.9%
- United States8.7%
* Partner reported figures, a lower bound.
The HS code shown for Diphacinone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Diphacinone, based on the data on this page
What is Diphacinone?
What is the CAS number of Diphacinone?
What is the molecular formula and weight of Diphacinone?
What is Diphacinone used for?
Is Diphacinone hazardous?
What is the HS code of Diphacinone?
Can I buy Diphacinone on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Diphacinone
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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