Basic information
- CAS
3555-86-0- Standard SMILES
O=C(c1ccccc1)c1c(O)cc(O)cc1O- InChIKey
CPEXFJVZFNYXGU-UHFFFAOYSA-N- Molecular formula
- C13H10O4
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.0579088
Overview
2,4,6-trihydroxybenzophenone is a benzenetriol that is benzophenone in which one of the phenyl groups is substituted at by hydroxy groups at positions 2, 4, and 6. It is a benzenetriol and a hydroxybenzophenone. It is a conjugate acid of a 2,4,6-trihydroxybenzophenone(1-).
Names & identifiers
- Preferred name
- 2,4,6-Trihydroxybenzophenone
- IUPAC
- phenyl-(2,4,6-trihydroxyphenyl)methanone
- English name
- Phlorobenzophenone
- Molecular formula
- C13H10O4
- Molecular weight
- 230.22
Names & synonyms
2,4,6-Trihydroxybenzophenone3555-86-0Phenyl(2,4,6-trihydroxyphenyl)methanoneMethanone, phenyl(2,4,6-trihydroxyphenyl)-EINECS 222-615-5Phenyl(2,4,6-trihydroxyphenyl)-methanoneDTXSID0063072CHEBI:28233RefChem:442926DTXCID1039050222-615-52-phenyl-2',4',6'-trihydroxyacetophenone
Show more names
2,4,6-TRIHYDROXYBENZOPHENONE 97%
PHLOROBENZOPHENONEphenyl-(2,4,6-trihydroxyphenyl)methanone2-benzoylbenzene-1,3,5-triolC06356SCHEMBL353943BDBM2343982,4,6-TRIHYDROXY BENZOPHENONEFT70586
Database identifiers
- CAS
3555-86-0- PubChem CID
- 77093
- DTXSID
DTXSID0063072- ChEBI
CHEBI:28233- EC Number
- 222-615-5
- Nikkaji
- J216.197D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 170 · 170–171°C
- Boiling point
- 332.2 °C · 332.2°C (rough estimate)
- Density
- 1.2683 · 1.2683 (rough estimate)
- refractive index
- 1.4977 · 1.4977 (estimate)
- Water Solubility
- 3.1 g/L · 3.1g/L(22 ºC)
- EPA Substance Registry System
- Methanone, phenyl(2,4,6-trihydroxyphenyl)- (3555-86-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, phenyl(2,4,6-trihydroxyphenyl)-: INACTIVE
Preparation methods
PreparationPreparation by Fries rearrangement of phloroglucinol tribenzoate with aluminium chloride at 160–170° for 2 h (95%).
Suppliers7 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: A benzenetriol that is benzophenone in which one of the phenyl groups is substituted at by hydroxy groups at positions 2, 4, and 6.
Related reactions
2 records
Compound notes
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