Basic information
- CAS
58158-57-9- Standard SMILES
O=C(Cc1cccnc1)c1ccc(Cl)cc1- InChIKey
XPSQHYPYPLUYAC-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO
- Average molar mass
- 231.68 g/mol
- Monoisotopic mass
- 231.0450916
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethan-1-one
- IUPAC
- 1-(4-chlorophenyl)-2-pyridin-3-ylethanone
- English name
- 1-(4-Chlorophenyl)-2-(3-pyridinyl)-ethanone
- Molecular formula
- C13H10ClNO
- Molecular weight
- 231.68
Names & synonyms
58158-57-91-(4-chlorophenyl)-2-(pyridin-3-yl)ethan-1-oneDTXSID20343067RefChem:225008DTXCID802941471-(4-Chlorophenyl)-2-(3-pyridinyl)ethanone1-(4-Chlorophenyl)-2-(pyridin-3-yl)ethanone1-(4-chlorophenyl)-2-pyridin-3-ylethanoneMFCD02271259Ethanone, 1-(4-chlorophenyl)-2-(3-pyridinyl)-1-(4-Chlorophenyl)-2-(3-pyridinyl)-ethanone1-(4-CHLOROPHENYL)-2-(3-PYRIDYL)ETHANONE
Show more names
1-(4-chloro-phenyl)-2-pyridin-3-yl-ethanone.alpha.-[3-Pyridyl]-4-chloroacetophenone2-(PYRIDIN-3-YL)-1-(4-CHLOROPHENYL)ETHANONESCHEMBL6201576ICA15857AKOS011842773AB90899AS-37286
Database identifiers
- CAS
58158-57-9- PubChem CID
- 587172
- DTXSID
DTXSID20343067
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- storage temp.
- 0 · Store at 0-8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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