Basic information
- Standard SMILES
O=CC=C(Cl)Cl- InChIKey
YCOYDSQEOWWYDT-UHFFFAOYSA-N- Molecular formula
- C3H2Cl2O
- Average molar mass
- 124.95 g/mol
- Monoisotopic mass
- 123.94827004
Names & identifiers
- Preferred name
- 3,3-Dichloro-2-propenal
- IUPAC
- 3,3-dichloroprop-2-enal
- English name
- 3,3-DICHLOROACROLEIN
- Molecular formula
- C3H2Cl2O
- Molecular weight
- 124.95
Names & synonyms
3,3-dichloroprop-2-enal3,3-Dichloro-2-propenalRefChem:485233859-972-73,3-Dichloroacrolein2648-51-32-propenal, 3,3-dichloro-3,3-Dichloropropenal3,3-DichloroacrylaldehydeCCRIS 7470beta,beta-DichloroacroleinACROLEIN, 3,3-DICHLORO-
Show more names
BRN 1699142RT2Q7A5TE5SCHEMBL4523417SCHEMBL4657972DTXSID10181071YCOYDSQEOWWYDT-UHFFFAOYSA-NAKOS006279836EN300-83036
Database identifiers
- CAS
2648-51-3- PubChem CID
- 17554
- DTXSID
DTXSID10181071- UNII
- RT2Q7A5TE5
- EC Number
- 859-972-7
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 72.9
Physicochemical properties
- Boiling point
- 124 · 124-125 °C
- Density
- 1.395 g/cm3 · 1.395 g/cm3(Temp: 17.5 °C)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H226-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
13 records
Linked notes
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