Basic information
- CAS
53842-12-9- Standard SMILES
CC(=O)CCC(=O)c1ccc(Cl)cc1- InChIKey
PACHJCBUIAZMEA-UHFFFAOYSA-N- Molecular formula
- C11H11ClO2
- Average molar mass
- 210.65 g/mol
- Monoisotopic mass
- 210.04475727
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)pentane-1,4-dione
- IUPAC
- 1-(4-chlorophenyl)pentane-1,4-dione
- English name
- 1-(4-CHLORO-PHENYL)-PENTANE-1,4-DIONE
- Molecular formula
- C11H11ClO2
- Molecular weight
- 210.66
Names & synonyms
1-(4-chlorophenyl)pentane-1,4-dione53842-12-9DTXSID00409099RefChem:225078DTXCID70359951MFCD013162051-(4-chlorophenyl)-1,4-pentanedione1-(4-CHLORO-PHENYL)-PENTANE-1,4-DIONESCHEMBL2968523PACHJCBUIAZMEA-UHFFFAOYSA-NAKOS0002783063N-332S
Show more names
1,4-Pentanedione, 1-(4-chlorophenyl)-
1-(4-chlorophenyl) pentane-1,4-dioneCS-0331834F729811
Database identifiers
- CAS
53842-12-9- PubChem CID
- 5168779
- DTXSID
DTXSID00409099- Nikkaji
- J461.758D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2914790090 · 2914790090
Safety & regulation
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
5 records
Compound notes
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