2,6-Dichloro-4'-nitrochalcone
Basic information
- CAS
88374-14-5- Standard SMILES
O=C(C=Cc1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])cc1- InChIKey
BIRXXCJOPLSMRD-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2NO3
- Average molar mass
- 322.1 g/mol
- Monoisotopic mass
- 320.9959485
Names & identifiers
- Preferred name
- 2,6-Dichloro-4'-nitrochalcone
- IUPAC
- 3-(2,6-dichlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
- English name
- 2-Propen-1-one,3-(2,6-dichlorophenyl)-1-(4-nitrophenyl)-
- Molecular formula
- C15H9Cl2NO3
- Molecular weight
- 322.14
Names & synonyms
2,6-DICHLORO-4'-NITROCHALCONERefChem:445389653-028-688374-14-5AKOS0243333772-Propen-1-one,3-(2,6-dichlorophenyl)-1-(4-nitrophenyl)-
Database identifiers
- CAS
88374-14-5- PubChem CID
- 291992
- EC Number
- 653-028-6
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 497.546 · 497.546±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H318-H411
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H315-H335-H318-H411
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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