Basic information
- CAS
57291-95-9- Standard SMILES
CC(=O)CC(=O)c1ccc(C(=O)CC(C)=O)cc1- InChIKey
LYPRUFUGDJOUNU-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Names & identifiers
- Preferred name
- 1,3-Butanedione, 1,1'-(1,4-phenylene)bis-
- IUPAC
- 1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dione
- English name
- 1,3-Butanedione, 1,1'-(1,4-phenylene)bis-
- Molecular formula
- C14H14O4
- Molecular weight
- 246.26
Names & synonyms
57291-95-91,3-Butanedione, 1,1'-(1,4-phenylene)bis-DTXSID50329819RefChem:218161DTXCID902809151,1'-(1,4-Phenylene)bis(butane-1,3-dione)1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dioneterephthaloyldiacetoneorb3213608SCHEMBL2003577CS-03791391,1'-(1,4-Phenylene)di(butane-1,3-dione)
Show more names
1,?4-?Bis(acetoacetyl)?benzene
Database identifiers
- CAS
57291-95-9- PubChem CID
- 424162
- DTXSID
DTXSID50329819- Nikkaji
- J1.281.873D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 185 · 185-186 °C(Solv: acetone (67-64-1); chloroform (67-66-3))
- Boiling point
- 428 · 428.0±30.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 7.61 · 7.61±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
上海楷树化学科技有限公司021-51987688803-803 18916626396 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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