1-(3,5-Dichlorophenyl)propane-1,2-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
386715-49-7- Standard SMILES
CC(=O)C(=O)c1cc(Cl)cc(Cl)c1- InChIKey
WWMMJQWHEMLODX-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2O2
- Average molar mass
- 217.05 g/mol
- Monoisotopic mass
- 215.9744848
Names & identifiers
- Preferred name
- 1-(3,5-Dichlorophenyl)propane-1,2-dione
- IUPAC
- 1-(3,5-dichlorophenyl)propane-1,2-dione
- English name
- 1-(3,5-DICHLOROPHENYL)PROPANE-1,2-DIONE
- Molecular formula
- C9H6Cl2O2
- Molecular weight
- 217.05
Names & synonyms
1-(3,5-dichlorophenyl)propane-1,2-dione386715-49-7DTXSID00371106RefChem:422911DTXCID70322140813-584-41-(3,5-dichlorophenyl)-1,2-propandioneMFCD01941316SCHEMBL6502193SBB095355AKOS015848943DB-258742
Show more names
1-(3,5-Dichlorophenyl)-1,2-propanedione1,2-Propanedione, 1-(3,5-dichlorophenyl)-1-(3,5-Dichlorophenyl)-1,2-propandione 95+%
CS-0363450F023421
Database identifiers
- CAS
386715-49-7- PubChem CID
- 2736071
- DTXSID
DTXSID00371106- EC Number
- 813-584-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 45 · 45~46℃
- Boiling point
- 324.5 · 324.5±32.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to green yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…