3-(3,4-Dichlorophenyl)-1-(2-thienyl)-2-propen-1-one
Basic information
- CAS
2379721-00-1- Standard SMILES
O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1cccs1- InChIKey
WYBSEBZDXWKGMZ-GQCTYLIASA-N- Molecular formula
- C13H8Cl2OS
- Average molar mass
- 283.2 g/mol
- Monoisotopic mass
- 281.9672914
Names & identifiers
- Preferred name
- 3-(3,4-Dichlorophenyl)-1-(2-thienyl)-2-propen-1-one
- IUPAC
- (E)-3-(3,4-dichlorophenyl)-1-thiophen-2-ylprop-2-en-1-one
Names & synonyms
7402-72-43-(3,4-Dichlorophenyl)-1-(2-thienyl)-2-propen-1-oneNSC 400314RefChem:491397653-956-13-(3,4-Dichlorophenyl)-1-(thiophen-2-yl)prop-2-en-1-oneNSC400314NSC-400314ALS6Y6Z9EJCHEMBL4586432NSC819559AKOS022422692
Show more names
NSC-8195592-Propen-1-one, 3-(3,4-dichlorophenyl)-1-(2-thienyl)-(2E)-3-(3,4-Dichlorophenyl)-1-(2-thienyl)-2-propen-1-one(E)-3-(3,4-dichlorophenyl)-1-(2-thienyl)prop-2-en-1-one2-Propen-1-one, 3-(3,4-dichlorophenyl)-1-(2-thienyl)-, (2E)-2379721-00-1
Database identifiers
- CAS
2379721-00-1、7402-72-4- PubChem CID
- 5846014
- ChEMBL
CHEMBL4586432- UNII
- ALS6Y6Z9EJ
- EC Number
- 653-956-1
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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