Basic information
- CAS
5436-05-5- Standard SMILES
O=C(c1ccc(O)cc1)c1cccc(C(=O)c2ccc(O)cc2)c1- InChIKey
HVYBCWHAJRYTCH-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920893
Overview
See also: 1,3-Phenylenebis((4-hydroxyphenyl)methanone) (annotation moved to).
Names & identifiers
- Preferred name
- Benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]
- IUPAC
- [3-(4-hydroxybenzoyl)phenyl]-(4-hydroxyphenyl)methanone
- English name
- benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
5436-05-5NSC 21344benzene-1,3-diylbis[(4-hydroxyphenyl)methanone]NSC21344SCHEMBL698836DTXSID30281340HVYBCWHAJRYTCH-UHFFFAOYSA-N1,3-bis(4-hydroxybenzoyl)-benzene1,3-bis-(4-hydroxybenzoyl)benzeneNSC-21344(1,3-Phenylene)bis[(4-hydroxyphenyl)methanone]1,3-Phenylenebis[(4-hydroxyphenyl)methanone
Show more names
Methanone, 1,1'-(1,3-phenylene)bis[1-(4-hydroxyphenyl)-
Database identifiers
- CAS
5436-05-5- PubChem CID
- 228420
- DTXSID
DTXSID30281340- Nikkaji
- J1.340.743F
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Melting point
- 215 °C · 215°C
- Boiling point
- 577.6 · 577.6±45.0 °C(Predicted)
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- form
- Solid:crystalline
- pka
- 7.4 · 7.40±0.15(Predicted)
- LogP
- 2.4 at · 2.4 at 35℃ and pH2-7
- REACH Registrations
- Inactive
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
- REACH Registrations
- Inactive
Chemistry & industry
Preparation methods
PreparationPreparation by demethylation of 1,3-di-(p-methoxy-–benzoyl)- benzene (SM) with hydrobromic acid (d = 1.49) in refluxing acetic acid for 6 h (68%) or for 10 h. SM was obtained by Friedel–Crafts acylation of anisole with isophthaloyl chlo-ride.
Suppliers2 total
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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