Basic information
- CAS
25855-99-6- Standard SMILES
Cc1ccc(C(=O)CC(=O)c2ccccc2)cc1- InChIKey
NWJSOXKGXZRQNV-UHFFFAOYSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)-3-phenylpropane-1,3-dione
- IUPAC
- 1-(4-methylphenyl)-3-phenylpropane-1,3-dione
- English name
- CHEMBRDG-BB 5213821
- Molecular formula
- C16H14O2
- Molecular weight
- 238.28
Names & synonyms
25855-99-61-(4-methylphenyl)-3-phenylpropane-1,3-dioneDTXSID80354755RefChem:225486DTXCID503058151-Phenyl-3-(p-tolyl)propane-1,3-dione1-(4-methylphenyl)-3-phenyl-1,3-propanedioneMFCD005599711,3-Propanedione, 1-(4-methylphenyl)-3-phenyl-CBMicro_0206981-Phenyl-3-p-tolylpropane-1,3-dioneBenzoyl p-Methylbenzoylmethane
Show more names
CHEMBRDG-BB 52138211-(4-methylphenyl)-3-phenylpropane-1,3-dione(SALTDATA: FREE)
MLS001162928SCHEMBL269482CHEMBL1565407NWJSOXKGXZRQNV-UHFFFAOYSA-NHMS2824C15CCG-5094AKOS0093037551-phenyl-3-(p-tolyl)propan-1,3-dione
Database identifiers
- CAS
25855-99-6- PubChem CID
- 781108
- DTXSID
DTXSID80354755- ChEMBL
CHEMBL1565407- Nikkaji
- J1.265.444H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 86 · 86-89 °C
- Boiling point
- 180 · 180-190 °C(Press: 1 Torr)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
- pka
- 9.22 · 9.22±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
扬州摩笛尔电子材料有限公司13918702962 13761402923 · [email protected]
Related reactions
1 records
Compound notes
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